1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine

C17H31N5O — CID 75533369

IUPAC1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(/NCCCn1cc(C)cn1)NC(C)C1CCCO1
InChIInChI=1S/C17H31N5O/c1-4-8-18-17(21-15(3)16-7-5-11-23-16)19-9-6-10-22-13-14(2)12-20-22/h12-13,15-16H,4-11H2,1-3H3,(H2,18,19,21)
InChIKeyWIKHOVQFYZMTCB-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.09
Rot. Bonds8

About 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine

1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine (PubChem CID 75533369) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine
PubChem CID75533369
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(/NCCCn1cc(C)cn1)NC(C)C1CCCO1
InChIInChI=1S/C17H31N5O/c1-4-8-18-17(21-15(3)16-7-5-11-23-16)19-9-6-10-22-13-14(2)12-20-22/h12-13,15-16H,4-11H2,1-3H3,(H2,18,19,21)
InChIKeyWIKHOVQFYZMTCB-UHFFFAOYSA-N
XLogP2.09
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine 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-[3-(4-methylpyrazol-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111137835
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125112
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 111518861
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(3-methylbutyl)-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 111494918
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111369209
1-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 95155095
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 95155094
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111401566
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111397611
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
CID 19573005
1-ethyl-3-(5-methylhexan-2-yl)-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111204333
1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 110957918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine (CID 75533369) is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine is CCC/N=C(/NCCCn1cc(C)cn1)NC(C)C1CCCO1.
What is the InChIKey of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine?
The InChIKey is WIKHOVQFYZMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-4-8-18-17(21-15(3)16-7-5-11-23-16)19-9-6-10-22-13-14(2)12-20-22/h12-13,15-16H,4-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine?
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine has a molecular weight of 321.47 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 75533369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).