(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

C22H25N5O — CID 120819044

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CCC1N
InChIInChI=1S/C22H25N5O/c1-22(2)15-26(12-10-19(22)23)21(28)18-14-27(17-8-4-3-5-9-17)25-20(18)16-7-6-11-24-13-16/h3-9,11,13-14,19H,10,12,15,23H2,1-2H3
InChIKeyKEQFRPAWJMQHDV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.13
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 120819044) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID120819044
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CCC1N
InChIInChI=1S/C22H25N5O/c1-22(2)15-26(12-10-19(22)23)21(28)18-14-27(17-8-4-3-5-9-17)25-20(18)16-7-6-11-24-13-16/h3-9,11,13-14,19H,10,12,15,23H2,1-2H3
InChIKeyKEQFRPAWJMQHDV-UHFFFAOYSA-N
XLogP3.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 120816910
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 38646128
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 26199829
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 17486470

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (CID 120819044) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is CC1(C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is KEQFRPAWJMQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2)15-26(12-10-19(22)23)21(28)18-14-27(17-8-4-3-5-9-17)25-20(18)16-7-6-11-24-13-16/h3-9,11,13-14,19H,10,12,15,23H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 120819044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).