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

C19H16ClN5O — CID 19263639

IUPAC4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1
InChIInChI=1S/C19H16ClN5O/c1-24-12-17(20)18(23-24)19(26)22-15-9-21-25(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyZVSFXPDRMHRWDZ-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.72
Rot. Bonds4

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

4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19263639) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19263639
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1
InChIInChI=1S/C19H16ClN5O/c1-24-12-17(20)18(23-24)19(26)22-15-9-21-25(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyZVSFXPDRMHRWDZ-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272041
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
3-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506538
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-bromo-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480992
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19263639) is 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is ZVSFXPDRMHRWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-24-12-17(20)18(23-24)19(26)22-15-9-21-25(11-15)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11-12H,10H2,1H3,(H,22,26).
What are the key properties of 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).