N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C22H30N4O2 — CID 86847947

IUPACN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C22H30N4O2/c1-5-26-20(13-19(25-26)14(2)3)22(28)24-18-11-10-16(12-15(18)4)21(27)23-17-8-6-7-9-17/h10-14,17H,5-9H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyFZZNIEADRBGFTF-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.26
Rot. Bonds6

About N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 86847947) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID86847947
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C22H30N4O2/c1-5-26-20(13-19(25-26)14(2)3)22(28)24-18-11-10-16(12-15(18)4)21(27)23-17-8-6-7-9-17/h10-14,17H,5-9H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyFZZNIEADRBGFTF-UHFFFAOYSA-N
XLogP4.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
CID 119305974
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796327
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 86847947) is N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is FZZNIEADRBGFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26-20(13-19(25-26)14(2)3)22(28)24-18-11-10-16(12-15(18)4)21(27)23-17-8-6-7-9-17/h10-14,17H,5-9H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 86847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).