4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide

C25H31ClN4O — CID 92767970

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H31ClN4O/c1-4-30(5-2)16-6-7-18(3)27-25(31)21-10-8-19(9-11-21)23-17-24(29-28-23)20-12-14-22(26)15-13-20/h8-15,17-18H,4-7,16H2,1-3H3,(H,27,31)(H,28,29)/t18-/m1/s1
InChIKeyUGZNPKSIWGMDLV-GOSISDBHSA-N
MW439.00 g/mol
LogP5.64
Rot. Bonds10

About 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide (PubChem CID 92767970) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
PubChem CID92767970
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H31ClN4O/c1-4-30(5-2)16-6-7-18(3)27-25(31)21-10-8-19(9-11-21)23-17-24(29-28-23)20-12-14-22(26)15-13-20/h8-15,17-18H,4-7,16H2,1-3H3,(H,27,31)(H,28,29)/t18-/m1/s1
InChIKeyUGZNPKSIWGMDLV-GOSISDBHSA-N
XLogP5.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-ethyl-N-propylbenzamide
CID 46092116
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6411699
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 46091856
N-(3-butoxypropyl)-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46091814
N-[5-(diethylamino)pentan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63865105
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
CID 91633917
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide (CID 92767970) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide is CCN(CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide?
The InChIKey is UGZNPKSIWGMDLV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31ClN4O/c1-4-30(5-2)16-6-7-18(3)27-25(31)21-10-8-19(9-11-21)23-17-24(29-28-23)20-12-14-22(26)15-13-20/h8-15,17-18H,4-7,16H2,1-3H3,(H,27,31)(H,28,29)/t18-/m1/s1.
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide has a molecular weight of 439.00 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 92767970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).