(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine

C7H10ClN3 — CID 115013966

IUPAC(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine
SMILESNCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C7H10ClN3/c8-7-5(3-9)4-10-11(7)6-1-2-6/h4,6H,1-3,9H2
InChIKeyRWBODCHNUHAQHY-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.33
Rot. Bonds2

About (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine

(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine (PubChem CID 115013966) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine
PubChem CID115013966
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine
SMILESNCc1cnn(C2CC2)c1Cl
InChIInChI=1S/C7H10ClN3/c8-7-5(3-9)4-10-11(7)6-1-2-6/h4,6H,1-3,9H2
InChIKeyRWBODCHNUHAQHY-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653
[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]methanamine
CID 115068515
3-(1-cyclopropyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068977
3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
CID 115050624
4-(chloromethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438386
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444
1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-amine
CID 126971873
4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
CID 66439251
1-cyclopropyl-4-iodopyrazol-5-amine
CID 118075725

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine?
The IUPAC name of (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine (CID 115013966) is (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine is NCc1cnn(C2CC2)c1Cl.
What is the InChIKey of (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine?
The InChIKey is RWBODCHNUHAQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c8-7-5(3-9)4-10-11(7)6-1-2-6/h4,6H,1-3,9H2.
What are the key properties of (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine?
(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine has a molecular weight of 171.63 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-cyclopropylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115013966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).