4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide

C20H18ClN5O — CID 19476955

IUPAC4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c1Cl
InChIInChI=1S/C20H18ClN5O/c1-13-18(21)19(25(2)24-13)20(27)23-16-10-22-26(12-16)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyMEMVPPKDRKKUNA-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 19476955) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID19476955
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c1Cl
InChIInChI=1S/C20H18ClN5O/c1-13-18(21)19(25(2)24-13)20(27)23-16-10-22-26(12-16)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyMEMVPPKDRKKUNA-UHFFFAOYSA-N
XLogP4.03
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
4-bromo-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480992
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272041
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
3-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506538
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
4-chloro-1,3-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476990
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477039
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
1-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide (CID 19476955) is 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is MEMVPPKDRKKUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13-18(21)19(25(2)24-13)20(27)23-16-10-22-26(12-16)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-10,12H,11H2,1-2H3,(H,23,27).
What are the key properties of 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 19476955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).