N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

C12H16N4OS — CID 77085626

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn[nH]c2)cs1
InChIInChI=1S/C12H16N4OS/c1-8(2)11-15-10(7-18-11)6-16(3)12(17)9-4-13-14-5-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMTPQIZILHSYUKH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 77085626) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID77085626
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn[nH]c2)cs1
InChIInChI=1S/C12H16N4OS/c1-8(2)11-15-10(7-18-11)6-16(3)12(17)9-4-13-14-5-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMTPQIZILHSYUKH-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 77085896
N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 156585739
N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56722201
N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 70764622
6-methoxy-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 70725974
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 137025319
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873
(2S)-3-methyl-N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
CID 71076126
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
CID 166241443

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 77085626) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cn[nH]c2)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MTPQIZILHSYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)11-15-10(7-18-11)6-16(3)12(17)9-4-13-14-5-9/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77085626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).