4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide

C32H39ClN4O — CID 11620726

IUPAC4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C32H39ClN4O/c1-4-36(5-2)20-10-11-24(3)34-32(38)17-9-16-29-23-31(27-14-8-15-28(33)21-27)35-37(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,34,38)
InChIKeyCJVBCOWJOPIJSO-UHFFFAOYSA-N
MW531.14 g/mol
LogP7.30
Rot. Bonds13

About 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide

4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide (PubChem CID 11620726) has the molecular formula C32H39ClN4O and a molecular weight of 531.14 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
PubChem CID11620726
Molecular FormulaC32H39ClN4O
Molecular Weight531.14 g/mol
Exact Mass530.28
IUPAC Name4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C32H39ClN4O/c1-4-36(5-2)20-10-11-24(3)34-32(38)17-9-16-29-23-31(27-14-8-15-28(33)21-27)35-37(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,34,38)
InChIKeyCJVBCOWJOPIJSO-UHFFFAOYSA-N
XLogP7.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.14
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The IUPAC name of 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide (CID 11620726) is 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide is CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
The InChIKey is CJVBCOWJOPIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4O/c1-4-36(5-2)20-10-11-24(3)34-32(38)17-9-16-29-23-31(27-14-8-15-28(33)21-27)35-37(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,34,38).
What are the key properties of 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide?
4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide has a molecular weight of 531.14 g/mol, XLogP of 7.30, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1-naphthalen-2-ylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide is sourced from PubChem (CID 11620726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).