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

C19H26N4O2S — CID 118432830

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-[(1R,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-/m1/s1
InChIKeyFNMCQWPAVQGSMW-HZPDHXFCSA-N
MW374.51 g/mol
LogP2.91
Rot. Bonds6

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

N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 118432830) 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-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID118432830
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-[(1R,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-/m1/s1
InChIKeyFNMCQWPAVQGSMW-HZPDHXFCSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (CID 118432830) is N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,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-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is FNMCQWPAVQGSMW-HZPDHXFCSA-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-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-[(1R,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-[(1R,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118432830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).