[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C23H27N5O — CID 56744089

IUPAC[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1
InChIInChI=1S/C23H27N5O/c1-3-6-21-20(13-24-15-25-21)23(29)28-11-9-17(10-12-28)22-19(14-26-27-22)18-8-5-4-7-16(18)2/h4-5,7-8,13-15,17H,3,6,9-12H2,1-2H3,(H,26,27)
InChIKeyNGDQGQYAOQWYQB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.15
Rot. Bonds5

About [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 56744089) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID56744089
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1
InChIInChI=1S/C23H27N5O/c1-3-6-21-20(13-24-15-25-21)23(29)28-11-9-17(10-12-28)22-19(14-26-27-22)18-8-5-4-7-16(18)2/h4-5,7-8,13-15,17H,3,6,9-12H2,1-2H3,(H,26,27)
InChIKeyNGDQGQYAOQWYQB-UHFFFAOYSA-N
XLogP4.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56741070
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42164961
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95205309
aziridin-1-yl-(4-ethylpyrimidin-5-yl)methanone
CID 131154697
3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70736621
N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
CID 77084278
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 91793013

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 56744089) is [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1.
What is the InChIKey of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is NGDQGQYAOQWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-6-21-20(13-24-15-25-21)23(29)28-11-9-17(10-12-28)22-19(14-26-27-22)18-8-5-4-7-16(18)2/h4-5,7-8,13-15,17H,3,6,9-12H2,1-2H3,(H,26,27).
What are the key properties of [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56744089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).