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

C20H27ClN4O — CID 119623914

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-15-19(14-24(22-15)18-5-3-2-4-6-18)20(25)23-11-9-17(10-12-23)21-13-16-7-8-16;/h2-6,14,16-17,21H,7-13H2,1H3;1H
InChIKeyBWIPUDGPJPWAHO-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.21
Rot. Bonds5

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

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 119623914) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
PubChem CID119623914
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-15-19(14-24(22-15)18-5-3-2-4-6-18)20(25)23-11-9-17(10-12-23)21-13-16-7-8-16;/h2-6,14,16-17,21H,7-13H2,1H3;1H
InChIKeyBWIPUDGPJPWAHO-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377822
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92880086
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880090
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride (CID 119623914) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is BWIPUDGPJPWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c1-15-19(14-24(22-15)18-5-3-2-4-6-18)20(25)23-11-9-17(10-12-23)21-13-16-7-8-16;/h2-6,14,16-17,21H,7-13H2,1H3;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 3.21, 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]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119623914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).