N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

C26H29N5O2 — CID 17404093

IUPACN-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C26H29N5O2/c1-19-7-5-6-10-22(19)25-23(17-31(28-25)21-8-3-2-4-9-21)26(33)30-15-13-29(14-16-30)18-24(32)27-20-11-12-20/h2-10,17,20H,11-16,18H2,1H3,(H,27,32)
InChIKeyPFCATJSVSDRWJD-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.88
Rot. Bonds6

About N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 17404093) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID17404093
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C26H29N5O2/c1-19-7-5-6-10-22(19)25-23(17-31(28-25)21-8-3-2-4-9-21)26(33)30-15-13-29(14-16-30)18-24(32)27-20-11-12-20/h2-10,17,20H,11-16,18H2,1H3,(H,27,32)
InChIKeyPFCATJSVSDRWJD-UHFFFAOYSA-N
XLogP2.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 8852508
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460519
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 45356108
2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31428063
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119635418
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (CID 17404093) is N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is PFCATJSVSDRWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-7-5-6-10-22(19)25-23(17-31(28-25)21-8-3-2-4-9-21)26(33)30-15-13-29(14-16-30)18-24(32)27-20-11-12-20/h2-10,17,20H,11-16,18H2,1H3,(H,27,32).
What are the key properties of N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17404093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).