1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine

C19H26N8O — CID 111655454

IUPAC1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(-n2ccnc2)nc1)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C19H26N8O/c1-4-21-18(24-13-19(2,28)16-11-25-26(3)12-16)23-10-15-5-6-17(22-9-15)27-8-7-20-14-27/h5-9,11-12,14,28H,4,10,13H2,1-3H3,(H2,21,23,24)
InChIKeyRVYDVIDDRMFRAV-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.96
Rot. Bonds7

About 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine

1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine (PubChem CID 111655454) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine
PubChem CID111655454
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(-n2ccnc2)nc1)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C19H26N8O/c1-4-21-18(24-13-19(2,28)16-11-25-26(3)12-16)23-10-15-5-6-17(22-9-15)27-8-7-20-14-27/h5-9,11-12,14,28H,4,10,13H2,1-3H3,(H2,21,23,24)
InChIKeyRVYDVIDDRMFRAV-UHFFFAOYSA-N
XLogP0.96
TPSA105.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111656802
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656374
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111656032
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111656031
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111656091
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111655710
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]guanidine
CID 111657018
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111656379
1-ethyl-2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111657078
methyl 4-[[[ethylamino-[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methylidene]amino]methyl]benzoate;hydroiodide
CID 111655549
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111657170
2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656800

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine (CID 111655454) is 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccc(-n2ccnc2)nc1)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is RVYDVIDDRMFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-4-21-18(24-13-19(2,28)16-11-25-26(3)12-16)23-10-15-5-6-17(22-9-15)27-8-7-20-14-27/h5-9,11-12,14,28H,4,10,13H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine?
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 382.47 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(6-imidazol-1-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).