N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide

C18H19N5O — CID 45193089

IUPACN-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)N(C)C(C)c2ccncn2)c1
InChIInChI=1S/C18H19N5O/c1-12-5-4-6-14(9-12)17-15(10-21-22-17)18(24)23(3)13(2)16-7-8-19-11-20-16/h4-11,13H,1-3H3,(H,21,22)
InChIKeyDSIYHTLFSLPAQP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide

N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 45193089) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID45193089
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)N(C)C(C)c2ccncn2)c1
InChIInChI=1S/C18H19N5O/c1-12-5-4-6-14(9-12)17-15(10-21-22-17)18(24)23(3)13(2)16-7-8-19-11-20-16/h4-11,13H,1-3H3,(H,21,22)
InChIKeyDSIYHTLFSLPAQP-UHFFFAOYSA-N
XLogP3.01
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 50981802
N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 126447211
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122568737
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
2-[methyl-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122036968

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide (CID 45193089) is N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide is Cc1cccc(-c2[nH]ncc2C(=O)N(C)C(C)c2ccncn2)c1.
What is the InChIKey of N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DSIYHTLFSLPAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-4-6-14(9-12)17-15(10-21-22-17)18(24)23(3)13(2)16-7-8-19-11-20-16/h4-11,13H,1-3H3,(H,21,22).
What are the key properties of N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide?
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 45193089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).