N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C21H21N5O2S — CID 25342219

IUPACN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1nccn1C
InChIInChI=1S/C21H21N5O2S/c1-13-8-9-18(29-13)15-12-16(25-24-15)21(27)23-19(20-22-10-11-26(20)2)14-6-4-5-7-17(14)28-3/h4-12,19H,1-3H3,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyPOSJLMPBDCEERV-IBGZPJMESA-N
MW407.50 g/mol
LogP3.71
Rot. Bonds6

About N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 25342219) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID25342219
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1nccn1C
InChIInChI=1S/C21H21N5O2S/c1-13-8-9-18(29-13)15-12-16(25-24-15)21(27)23-19(20-22-10-11-26(20)2)14-6-4-5-7-17(14)28-3/h4-12,19H,1-3H3,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyPOSJLMPBDCEERV-IBGZPJMESA-N
XLogP3.71
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-Hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-(5-thiophen-3-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365315
3-Tert-butyl-4-(2-methoxyphenyl)-5-(5-thiophen-2-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365805
3-Tert-butyl-4-(2-methoxyphenyl)-5-(5-thiophen-3-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365907
3-(1-Hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-(5-thiophen-2-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365988
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46948244
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 45224826
(3-(3-methoxyphenyl)-1H-pyrazol-5-yl)(3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)methanone
CID 49746296
N-[3-(1H-imidazol-1-yl)butyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712811
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CID 71788563
4-isopropoxy-N-(2-(6-(thiophen-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)benzamide
CID 76148399
[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95230843
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 144691469

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 25342219) is N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is COc1ccccc1[C@H](NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1nccn1C.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is POSJLMPBDCEERV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-13-8-9-18(29-13)15-12-16(25-24-15)21(27)23-19(20-22-10-11-26(20)2)14-6-4-5-7-17(14)28-3/h4-12,19H,1-3H3,(H,23,27)(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25342219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).