N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

C18H23ClN4O2 — CID 112794077

IUPACN-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C18H23ClN4O2/c1-11(2)22(10-16(20)24)18(25)17-12(3)21-23(13(17)4)9-14-7-5-6-8-15(14)19/h5-8,11H,9-10H2,1-4H3,(H2,20,24)
InChIKeyHTPXGJJHKPVFAF-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.54
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 112794077) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID112794077
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C18H23ClN4O2/c1-11(2)22(10-16(20)24)18(25)17-12(3)21-23(13(17)4)9-14-7-5-6-8-15(14)19/h5-8,11H,9-10H2,1-4H3,(H2,20,24)
InChIKeyHTPXGJJHKPVFAF-UHFFFAOYSA-N
XLogP2.54
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
N-(1-amino-1-oxopropan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 134045694
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 35591804
(2R)-2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119243799
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
N-benzyl-1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798376
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 2121968
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
CID 119517266

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (CID 112794077) is N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HTPXGJJHKPVFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(2)22(10-16(20)24)18(25)17-12(3)21-23(13(17)4)9-14-7-5-6-8-15(14)19/h5-8,11H,9-10H2,1-4H3,(H2,20,24).
What are the key properties of N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 112794077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).