N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide

C21H22ClN5O2 — CID 86896735

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H22ClN5O2/c1-2-11-23-21(29)26-16-9-7-15(8-10-16)12-20(28)25-17-13-24-27(14-17)19-6-4-3-5-18(19)22/h3-10,13-14H,2,11-12H2,1H3,(H,25,28)(H2,23,26,29)
InChIKeyPAAFNGBGPWRSOM-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide (PubChem CID 86896735) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
PubChem CID86896735
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H22ClN5O2/c1-2-11-23-21(29)26-16-9-7-15(8-10-16)12-20(28)25-17-13-24-27(14-17)19-6-4-3-5-18(19)22/h3-10,13-14H,2,11-12H2,1H3,(H,25,28)(H2,23,26,29)
InChIKeyPAAFNGBGPWRSOM-UHFFFAOYSA-N
XLogP4.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 49160152
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]-4-methoxybenzamide
CID 86896456
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
CID 60591643
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
CID 86895938
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-[[4-(butanoylamino)phenyl]methyl]-1-(2-chlorophenyl)pyrazole-3-carboxamide
CID 49326504
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide (CID 86896735) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide is CCCNC(=O)Nc1ccc(CC(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The InChIKey is PAAFNGBGPWRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-2-11-23-21(29)26-16-9-7-15(8-10-16)12-20(28)25-17-13-24-27(14-17)19-6-4-3-5-18(19)22/h3-10,13-14H,2,11-12H2,1H3,(H,25,28)(H2,23,26,29).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 86896735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).