2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

C13H23N5 — CID 111042629

IUPAC2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCc1[nH]ncc1CCCN/C(N)=N/CC1CCC1
InChIInChI=1S/C13H23N5/c1-10-12(9-17-18-10)6-3-7-15-13(14)16-8-11-4-2-5-11/h9,11H,2-8H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyOJEAYSYAFVESKR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (PubChem CID 111042629) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
PubChem CID111042629
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCc1[nH]ncc1CCCN/C(N)=N/CC1CCC1
InChIInChI=1S/C13H23N5/c1-10-12(9-17-18-10)6-3-7-15-13(14)16-8-11-4-2-5-11/h9,11H,2-8H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyOJEAYSYAFVESKR-UHFFFAOYSA-N
XLogP1.36
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042637
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111560045
4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60761293
4-amino-5-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-3-carboxamide
CID 62079735
1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62038180
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (CID 111042629) is 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is Cc1[nH]ncc1CCCN/C(N)=N/CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The InChIKey is OJEAYSYAFVESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-12(9-17-18-10)6-3-7-15-13(14)16-8-11-4-2-5-11/h9,11H,2-8H2,1H3,(H,17,18)(H3,14,15,16).
What are the key properties of 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111042629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).