1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine

C15H19N5 — CID 110934345

IUPAC1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccn(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H19N5/c1-16-15(18-12-7-8-12)17-11-13-9-10-20(19-13)14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H2,16,17,18)
InChIKeyKTQULHCGVSDLDV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.70
Rot. Bonds4

About 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine

1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine (PubChem CID 110934345) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
PubChem CID110934345
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
SMILESC/N=C(\NCc1ccn(-c2ccccc2)n1)NC1CC1
InChIInChI=1S/C15H19N5/c1-16-15(18-12-7-8-12)17-11-13-9-10-20(19-13)14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H2,16,17,18)
InChIKeyKTQULHCGVSDLDV-UHFFFAOYSA-N
XLogP1.70
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclopentyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110990848
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018098
ethyl 4-[[N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328454
2-methyl-1-[1-(4-methylphenyl)pyrrolidin-3-yl]-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111923799
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914867
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 109437700
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318084
2-methyl-1-[2-(oxolan-2-yl)ethyl]-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111875621
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111397953
N,N-dimethyl-2-[[N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 119133044
1-(2-ethoxyethyl)-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111895445
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 86781026

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine (CID 110934345) is 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine is C/N=C(\NCc1ccn(-c2ccccc2)n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine?
The InChIKey is KTQULHCGVSDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-16-15(18-12-7-8-12)17-11-13-9-10-20(19-13)14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine?
1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 110934345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).