[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride

C19H25ClN4O — CID 119625337

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccn(-c2ccccc2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N4O.ClH/c24-19(18-10-13-23(21-18)17-4-2-1-3-5-17)22-11-8-16(9-12-22)20-14-15-6-7-15;/h1-5,10,13,15-16,20H,6-9,11-12,14H2;1H
InChIKeyKXZSAUPTNRTBJA-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.90
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 119625337) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
PubChem CID119625337
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccn(-c2ccccc2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N4O.ClH/c24-19(18-10-13-23(21-18)17-4-2-1-3-5-17)22-11-8-16(9-12-22)20-14-15-6-7-15;/h1-5,10,13,15-16,20H,6-9,11-12,14H2;1H
InChIKeyKXZSAUPTNRTBJA-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545939
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119545199
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
CID 51100591
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119623043

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride (CID 119625337) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride is Cl.O=C(c1ccn(-c2ccccc2)n1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is KXZSAUPTNRTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c24-19(18-10-13-23(21-18)17-4-2-1-3-5-17)22-11-8-16(9-12-22)20-14-15-6-7-15;/h1-5,10,13,15-16,20H,6-9,11-12,14H2;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119625337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).