1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine

C14H17ClN4 — CID 117209926

IUPAC1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN4/c15-11-3-1-10(2-4-11)14-13(9-17-18-14)19-7-5-12(16)6-8-19/h1-4,9,12H,5-8,16H2,(H,17,18)
InChIKeyNHNMVIIHJKVPQB-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.66
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine

1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine (PubChem CID 117209926) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine
PubChem CID117209926
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN4/c15-11-3-1-10(2-4-11)14-13(9-17-18-14)19-7-5-12(16)6-8-19/h1-4,9,12H,5-8,16H2,(H,17,18)
InChIKeyNHNMVIIHJKVPQB-UHFFFAOYSA-N
XLogP2.66
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperidin-4-amine
CID 117209876
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperidin-4-amine
CID 117210416
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-amine
CID 139512553
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375417

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine (CID 117209926) is 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine is NC1CCN(c2cn[nH]c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine?
The InChIKey is NHNMVIIHJKVPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-11-3-1-10(2-4-11)14-13(9-17-18-14)19-7-5-12(16)6-8-19/h1-4,9,12H,5-8,16H2,(H,17,18).
What are the key properties of 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine?
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117209926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).