[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride

C22H26ClN5O — CID 154905790

IUPAC[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H
InChIKeyDLIKUXZXHCWOIF-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.42
Rot. Bonds3

About [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride

[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride (PubChem CID 154905790) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
PubChem CID154905790
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H
InChIKeyDLIKUXZXHCWOIF-UHFFFAOYSA-N
XLogP3.42
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
CID 121495789
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid
CID 25219429
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
(4-aminopiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 119373981
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119412812
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
5-[1-(4-methylbenzoyl)piperidin-4-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299319
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118768512

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride (CID 154905790) is [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride is Cc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The InChIKey is DLIKUXZXHCWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H.
What are the key properties of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride has a molecular weight of 411.94 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 154905790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).