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

C21H21ClN4O2 — CID 31862135

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(CC(N)=O)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)20-18(12-24-26(20)17-5-3-4-15(22)11-17)21(28)25-16-8-6-14(7-9-16)10-19(23)27/h3-9,11-13H,10H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyDHHKNIQTMKLHCP-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.93
Rot. Bonds6

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

N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 31862135) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID31862135
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(CC(N)=O)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)20-18(12-24-26(20)17-5-3-4-15(22)11-17)21(28)25-16-8-6-14(7-9-16)10-19(23)27/h3-9,11-13H,10H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyDHHKNIQTMKLHCP-UHFFFAOYSA-N
XLogP3.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
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N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 31862135) is N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc(CC(N)=O)cc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DHHKNIQTMKLHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13(2)20-18(12-24-26(20)17-5-3-4-15(22)11-17)21(28)25-16-8-6-14(7-9-16)10-19(23)27/h3-9,11-13H,10H2,1-2H3,(H2,23,27)(H,25,28).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31862135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).