[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine

C8H13N3 — CID 82417218

IUPAC[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine
SMILESNCC1(c2cn[nH]c2)CCC1
InChIInChI=1S/C8H13N3/c9-6-8(2-1-3-8)7-4-10-11-5-7/h4-5H,1-3,6,9H2,(H,10,11)
InChIKeyMMRFKVGTLYRKRG-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.79
Rot. Bonds2

About [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine

[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine (PubChem CID 82417218) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine
PubChem CID82417218
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine
SMILESNCC1(c2cn[nH]c2)CCC1
InChIInChI=1S/C8H13N3/c9-6-8(2-1-3-8)7-4-10-11-5-7/h4-5H,1-3,6,9H2,(H,10,11)
InChIKeyMMRFKVGTLYRKRG-UHFFFAOYSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine
CID 115009017
[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine
CID 82657299
1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80599035
[1-(6-chloro-3-pyridinyl)cyclopentyl]methanamine
CID 96865672
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-[4-(1,3-oxazol-2-yl)phenyl]cyclobutyl]methanamine
CID 117329066
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
CID 117330714
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine (CID 82417218) is [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine is NCC1(c2cn[nH]c2)CCC1.
What is the InChIKey of [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine?
The InChIKey is MMRFKVGTLYRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-6-8(2-1-3-8)7-4-10-11-5-7/h4-5H,1-3,6,9H2,(H,10,11).
What are the key properties of [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine?
[1-(1H-pyrazol-4-yl)cyclobutyl]methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82417218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).