N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide

C17H17N5OS — CID 70714246

IUPACN-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C17H17N5OS/c1-21(16(23)14-10-18-17(24-2)19-11-14)12-13-4-6-15(7-5-13)22-9-3-8-20-22/h3-11H,12H2,1-2H3
InChIKeyRCWQZULCZFLSKV-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide

N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 70714246) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID70714246
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C17H17N5OS/c1-21(16(23)14-10-18-17(24-2)19-11-14)12-13-4-6-15(7-5-13)22-9-3-8-20-22/h3-11H,12H2,1-2H3
InChIKeyRCWQZULCZFLSKV-UHFFFAOYSA-N
XLogP2.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952
6-chloro-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70756144
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide (CID 70714246) is N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide is CSc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RCWQZULCZFLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21(16(23)14-10-18-17(24-2)19-11-14)12-13-4-6-15(7-5-13)22-9-3-8-20-22/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide?
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70714246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).