2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

C16H21N5 — CID 111855624

IUPAC2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-17-15(18-11-14-7-10-20-21-14)19-12-16(8-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)(H2,17,18,19)
InChIKeyDARIJIFRPAZNHF-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111855624) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111855624
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-17-15(18-11-14-7-10-20-21-14)19-12-16(8-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)(H2,17,18,19)
InChIKeyDARIJIFRPAZNHF-UHFFFAOYSA-N
XLogP1.81
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970928
1-(1H-indol-2-ylmethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111857329
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
1-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111149436
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111265852
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856690
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111855612
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856386
2-methyl-N-[2-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111856360
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 110967064
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111856128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111855624) is 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is C/N=C(\NCc1ccn[nH]1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is DARIJIFRPAZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-17-15(18-11-14-7-10-20-21-14)19-12-16(8-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)(H2,17,18,19).
What are the key properties of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 283.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111855624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).