4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C17H22N4OS — CID 118432772

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CC1
InChIInChI=1S/C17H22N4OS/c1-10-13(14-5-15(14)18-7-11-3-4-11)6-16(23-10)17(22)20-12-8-19-21(2)9-12/h6,8-9,11,14-15,18H,3-5,7H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyMHNJQJNNLQVXCH-LSDHHAIUSA-N
MW330.46 g/mol
LogP2.90
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118432772) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118432772
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CC1
InChIInChI=1S/C17H22N4OS/c1-10-13(14-5-15(14)18-7-11-3-4-11)6-16(23-10)17(22)20-12-8-19-21(2)9-12/h6,8-9,11,14-15,18H,3-5,7H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyMHNJQJNNLQVXCH-LSDHHAIUSA-N
XLogP2.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118432772) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CC1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is MHNJQJNNLQVXCH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-10-13(14-5-15(14)18-7-11-3-4-11)6-16(23-10)17(22)20-12-8-19-21(2)9-12/h6,8-9,11,14-15,18H,3-5,7H2,1-2H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).