1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine

C11H19N3 — CID 62731862

IUPAC1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(CC2CC2)c1
InChIInChI=1S/C11H19N3/c1-2-11(12)5-10-6-13-14(8-10)7-9-3-4-9/h6,8-9,11H,2-5,7,12H2,1H3
InChIKeyMEWCAEJLKAYAGX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.57
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine

1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine (PubChem CID 62731862) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
PubChem CID62731862
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(CC2CC2)c1
InChIInChI=1S/C11H19N3/c1-2-11(12)5-10-6-13-14(8-10)7-9-3-4-9/h6,8-9,11H,2-5,7,12H2,1H3
InChIKeyMEWCAEJLKAYAGX-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentylpyrazol-4-yl)butan-2-amine
CID 62731678
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731684
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 65392490
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62730979

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine (CID 62731862) is 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1cnn(CC2CC2)c1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is MEWCAEJLKAYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-11(12)5-10-6-13-14(8-10)7-9-3-4-9/h6,8-9,11H,2-5,7,12H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine?
1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 62731862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).