N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide

C17H17N5O2 — CID 162676200

IUPACN-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C17H17N5O2/c1-12(13-7-4-3-5-8-13)21(2)16(24)14-11-18-17(20-15(14)23)22-10-6-9-19-22/h3-12H,1-2H3,(H,18,20,23)/t12-/m0/s1
InChIKeyCVHOQOPDJIKLLT-LBPRGKRZSA-N
MW323.36 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide

N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide (PubChem CID 162676200) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
PubChem CID162676200
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C17H17N5O2/c1-12(13-7-4-3-5-8-13)21(2)16(24)14-11-18-17(20-15(14)23)22-10-6-9-19-22/h3-12H,1-2H3,(H,18,20,23)/t12-/m0/s1
InChIKeyCVHOQOPDJIKLLT-LBPRGKRZSA-N
XLogP1.79
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide
CID 53493908
4-Hydroxy-N-(1-methyl-1-phenylethyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44230798
2-(1-methylpyrazol-3-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231438
6-oxo-N-[(4-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231439
N-benzhydryl-4-hydroxy-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
CID 44231442
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
N-[(4-chlorophenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231907
1-[6-oxo-5-(2-phenylpropan-2-ylcarbamoyl)-1H-pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 44232167

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide (CID 162676200) is N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide is C[C@@H](c1ccccc1)N(C)C(=O)c1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is CVHOQOPDJIKLLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(13-7-4-3-5-8-13)21(2)16(24)14-11-18-17(20-15(14)23)22-10-6-9-19-22/h3-12H,1-2H3,(H,18,20,23)/t12-/m0/s1.
What are the key properties of N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162676200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).