1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine

C9H16ClN3 — CID 84776617

IUPAC1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
SMILESCCCc1c(Cl)cnn1CC(C)N
InChIInChI=1S/C9H16ClN3/c1-3-4-9-8(10)5-12-13(9)6-7(2)11/h5,7H,3-4,6,11H2,1-2H3
InChIKeyJIFYINVBCAINBV-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine

1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine (PubChem CID 84776617) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
PubChem CID84776617
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
SMILESCCCc1c(Cl)cnn1CC(C)N
InChIInChI=1S/C9H16ClN3/c1-3-4-9-8(10)5-12-13(9)6-7(2)11/h5,7H,3-4,6,11H2,1-2H3
InChIKeyJIFYINVBCAINBV-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-5-propylpyrazol-4-yl)ethanamine
CID 105439739
1-(7-chloroindazol-1-yl)propan-2-amine
CID 84677385
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
CID 114664972
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine (CID 84776617) is 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine is CCCc1c(Cl)cnn1CC(C)N.
What is the InChIKey of 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine?
The InChIKey is JIFYINVBCAINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-3-4-9-8(10)5-12-13(9)6-7(2)11/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine?
1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine has a molecular weight of 201.70 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 84776617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).