N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide

C18H21N5O — CID 19474017

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cnn(C)c3C)c2)n1
InChIInChI=1S/C18H21N5O/c1-12-8-13(2)23(21-12)11-15-6-5-7-16(9-15)20-18(24)17-10-19-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,20,24)
InChIKeyIZOROZPGQADONY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.84
Rot. Bonds4

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474017) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474017
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cnn(C)c3C)c2)n1
InChIInChI=1S/C18H21N5O/c1-12-8-13(2)23(21-12)11-15-6-5-7-16(9-15)20-18(24)17-10-19-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,20,24)
InChIKeyIZOROZPGQADONY-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

4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266221
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 95775635
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513939
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 34595492

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide (CID 19474017) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3cnn(C)c3C)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is IZOROZPGQADONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-8-13(2)23(21-12)11-15-6-5-7-16(9-15)20-18(24)17-10-19-22(4)14(17)3/h5-10H,11H2,1-4H3,(H,20,24).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-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 N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).