N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C15H20N4O2S — CID 129329069

IUPACN,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)cs1
InChIInChI=1S/C15H20N4O2S/c1-10-16-12(9-22-10)6-18(2)15(20)13-7-19(3)17-14(13)11-4-5-21-8-11/h7,9,11H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyDESAALRMKIAVGE-LLVKDONJSA-N
MW320.42 g/mol
LogP1.96
Rot. Bonds4

About N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 129329069) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID129329069
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)cs1
InChIInChI=1S/C15H20N4O2S/c1-10-16-12(9-22-10)6-18(2)15(20)13-7-19(3)17-14(13)11-4-5-21-8-11/h7,9,11H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyDESAALRMKIAVGE-LLVKDONJSA-N
XLogP1.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129472427
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129477481
3-[4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692103

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 129329069) is N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2cn(C)nc2[C@@H]2CCOC2)cs1.
What is the InChIKey of N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is DESAALRMKIAVGE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-16-12(9-22-10)6-18(2)15(20)13-7-19(3)17-14(13)11-4-5-21-8-11/h7,9,11H,4-6,8H2,1-3H3/t11-/m1/s1.
What are the key properties of N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129329069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).