(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone

C23H26N4O — CID 167974805

IUPAC(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C23H26N4O/c1-2-7-18-11-14-26(15-12-18)23(28)21-17-27(20-9-4-3-5-10-20)25-22(21)19-8-6-13-24-16-19/h3-6,8-10,13,16-18H,2,7,11-12,14-15H2,1H3
InChIKeyXDPNGKAQSLINKQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.59
Rot. Bonds5

About (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 167974805) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
PubChem CID167974805
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C23H26N4O/c1-2-7-18-11-14-26(15-12-18)23(28)21-17-27(20-9-4-3-5-10-20)25-22(21)19-8-6-13-24-16-19/h3-6,8-10,13,16-18H,2,7,11-12,14-15H2,1H3
InChIKeyXDPNGKAQSLINKQ-UHFFFAOYSA-N
XLogP4.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
[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
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 26199829
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622995

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone (CID 167974805) is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is XDPNGKAQSLINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-7-18-11-14-26(15-12-18)23(28)21-17-27(20-9-4-3-5-10-20)25-22(21)19-8-6-13-24-16-19/h3-6,8-10,13,16-18H,2,7,11-12,14-15H2,1H3.
What are the key properties of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone?
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 167974805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).