1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine

C14H26ClN3 — CID 114657470

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H26ClN3/c1-5-7-8-13(16-9-6-2)14-12(15)10-17-18(14)11(3)4/h10-11,13,16H,5-9H2,1-4H3
InChIKeyQHGLPGKYIHADHF-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine (PubChem CID 114657470) has the molecular formula C14H26ClN3 and a molecular weight of 271.84 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
PubChem CID114657470
Molecular FormulaC14H26ClN3
Molecular Weight271.84 g/mol
Exact Mass271.18
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H26ClN3/c1-5-7-8-13(16-9-6-2)14-12(15)10-17-18(14)11(3)4/h10-11,13,16H,5-9H2,1-4H3
InChIKeyQHGLPGKYIHADHF-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 114653705
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114651928
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103150042
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
1-(4-chloro-1-methylpyrazol-5-yl)-4-ethoxy-N-propylbutan-1-amine
CID 105186139
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-cyclobutyl-N-ethylethanamine
CID 103169565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine (CID 114657470) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine?
The InChIKey is QHGLPGKYIHADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3/c1-5-7-8-13(16-9-6-2)14-12(15)10-17-18(14)11(3)4/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine has a molecular weight of 271.84 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 114657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).