2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide

C21H20ClN5O — CID 19536822

IUPAC2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(Cc2cccc3ccccc23)c1)n1cc(Cl)cn1
InChIInChI=1S/C21H20ClN5O/c1-2-20(27-13-17(22)10-24-27)21(28)25-18-11-23-26(14-18)12-16-8-5-7-15-6-3-4-9-19(15)16/h3-11,13-14,20H,2,12H2,1H3,(H,25,28)
InChIKeyNNMKYNJLHVPTCN-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.52
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide

2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 19536822) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID19536822
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(Cc2cccc3ccccc23)c1)n1cc(Cl)cn1
InChIInChI=1S/C21H20ClN5O/c1-2-20(27-13-17(22)10-24-27)21(28)25-18-11-23-26(14-18)12-16-8-5-7-15-6-3-4-9-19(15)16/h3-11,13-14,20H,2,12H2,1H3,(H,25,28)
InChIKeyNNMKYNJLHVPTCN-UHFFFAOYSA-N
XLogP4.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19549284
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
1-(3-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17300277
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19538173
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
1-(3,4-dichlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 19343204
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19532191

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide (CID 19536822) is 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide is CCC(C(=O)Nc1cnn(Cc2cccc3ccccc23)c1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is NNMKYNJLHVPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-2-20(27-13-17(22)10-24-27)21(28)25-18-11-23-26(14-18)12-16-8-5-7-15-6-3-4-9-19(15)16/h3-11,13-14,20H,2,12H2,1H3,(H,25,28).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 393.88 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 19536822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).