N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide

C19H26N4O2S — CID 131709611

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1csc([C@H]2C[C@H]2NCC2CCOCC2)c1
InChIInChI=1S/C19H26N4O2S/c1-12-17(10-23(2)22-12)21-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,21,24)/t15-,16+/m0/s1
InChIKeyFNMCQWPAVQGSMW-JKSUJKDBSA-N
MW374.51 g/mol
LogP2.91
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 131709611) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID131709611
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1csc([C@H]2C[C@H]2NCC2CCOCC2)c1
InChIInChI=1S/C19H26N4O2S/c1-12-17(10-23(2)22-12)21-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,21,24)/t15-,16+/m0/s1
InChIKeyFNMCQWPAVQGSMW-JKSUJKDBSA-N
XLogP2.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide with MolForge

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Related Compounds

4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432727
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794
N-(1,3-dimethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432830
N-(1-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432983
4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432998

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (CID 131709611) is N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is Cc1nn(C)cc1NC(=O)c1csc([C@H]2C[C@H]2NCC2CCOCC2)c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is FNMCQWPAVQGSMW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-17(10-23(2)22-12)21-19(24)14-7-18(26-11-14)15-8-16(15)20-9-13-3-5-25-6-4-13/h7,10-11,13,15-16,20H,3-6,8-9H2,1-2H3,(H,21,24)/t15-,16+/m0/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 131709611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).