1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine

C17H24N4 — CID 43739937

IUPAC1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCC(C)N1CCC(Nc2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C17H24N4/c1-14(2)20-11-7-15(8-12-20)19-16-5-3-6-17(13-16)21-10-4-9-18-21/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3
InChIKeyDIQLDRJRTYWORB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.16
Rot. Bonds4

About 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine

1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine (PubChem CID 43739937) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
PubChem CID43739937
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCC(C)N1CCC(Nc2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C17H24N4/c1-14(2)20-11-7-15(8-12-20)19-16-5-3-6-17(13-16)21-10-4-9-18-21/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3
InChIKeyDIQLDRJRTYWORB-UHFFFAOYSA-N
XLogP3.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
CID 104860198
1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 62981651
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43740035
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81235453
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine (CID 43739937) is 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine is CC(C)N1CCC(Nc2cccc(-n3cccn3)c2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The InChIKey is DIQLDRJRTYWORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(2)20-11-7-15(8-12-20)19-16-5-3-6-17(13-16)21-10-4-9-18-21/h3-6,9-10,13-15,19H,7-8,11-12H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 43739937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).