N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H18N6O2 — CID 167792498

IUPACN-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)ccn1
InChIInChI=1S/C16H18N6O2/c1-9-15(10(2)22(3)21-9)12-8-13(20-19-12)16(23)18-11-5-6-17-14(7-11)24-4/h5-8H,1-4H3,(H,19,20)(H,17,18,23)
InChIKeyTYRKDJCLBDWAHC-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.08
Rot. Bonds4

About N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 167792498) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID167792498
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)ccn1
InChIInChI=1S/C16H18N6O2/c1-9-15(10(2)22(3)21-9)12-8-13(20-19-12)16(23)18-11-5-6-17-14(7-11)24-4/h5-8H,1-4H3,(H,19,20)(H,17,18,23)
InChIKeyTYRKDJCLBDWAHC-UHFFFAOYSA-N
XLogP2.08
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71704901
N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78886380
N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879442
N-[2-(4-methoxyphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881598
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
CID 78880139
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879203

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 167792498) is N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is TYRKDJCLBDWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9-15(10(2)22(3)21-9)12-8-13(20-19-12)16(23)18-11-5-6-17-14(7-11)24-4/h5-8H,1-4H3,(H,19,20)(H,17,18,23).
What are the key properties of N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).