1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

C18H21N5O — CID 19281654

IUPAC1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3c(C)nn(C)c3C)n2)c1
InChIInChI=1S/C18H21N5O/c1-12-6-5-7-15(10-12)11-23-9-8-16(21-23)19-18(24)17-13(2)20-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,19,21,24)
InChIKeySPSNJYQHPHULRC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.84
Rot. Bonds4

About 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 19281654) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID19281654
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3c(C)nn(C)c3C)n2)c1
InChIInChI=1S/C18H21N5O/c1-12-6-5-7-15(10-12)11-23-9-8-16(21-23)19-18(24)17-13(2)20-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,19,21,24)
InChIKeySPSNJYQHPHULRC-UHFFFAOYSA-N
XLogP2.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512791
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466631
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19284556
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276281
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512796

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (CID 19281654) is 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3c(C)nn(C)c3C)n2)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is SPSNJYQHPHULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-6-5-7-15(10-12)11-23-9-8-16(21-23)19-18(24)17-13(2)20-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,19,21,24).
What are the key properties of 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).