N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide

C17H19N5O2 — CID 140574587

IUPACN-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
SMILESCOc1cccc(C)c1-n1nc(C)cc1NC(=O)N1C=CC=NC1
InChIInChI=1S/C17H19N5O2/c1-12-6-4-7-14(24-3)16(12)22-15(10-13(2)20-22)19-17(23)21-9-5-8-18-11-21/h4-10H,11H2,1-3H3,(H,19,23)
InChIKeyVPSJBTBTXRLXIK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds3

About N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide

N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide (PubChem CID 140574587) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
PubChem CID140574587
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
SMILESCOc1cccc(C)c1-n1nc(C)cc1NC(=O)N1C=CC=NC1
InChIInChI=1S/C17H19N5O2/c1-12-6-4-7-14(24-3)16(12)22-15(10-13(2)20-22)19-17(23)21-9-5-8-18-11-21/h4-10H,11H2,1-3H3,(H,19,23)
InChIKeyVPSJBTBTXRLXIK-UHFFFAOYSA-N
XLogP2.89
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide (CID 140574587) is N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide is COc1cccc(C)c1-n1nc(C)cc1NC(=O)N1C=CC=NC1.
What is the InChIKey of N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The InChIKey is VPSJBTBTXRLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-6-4-7-14(24-3)16(12)22-15(10-13(2)20-22)19-17(23)21-9-5-8-18-11-21/h4-10H,11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).