5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide

C17H24N4O2S — CID 164631140

IUPAC5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC[C@H](C)N3CCOCC3)n[nH]2)s1
InChIInChI=1S/C17H24N4O2S/c1-12(21-7-9-23-10-8-21)5-6-18-17(22)15-11-14(19-20-15)16-4-3-13(2)24-16/h3-4,11-12H,5-10H2,1-2H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyKSHZZQCIDCEIHS-LBPRGKRZSA-N
MW348.47 g/mol
LogP2.29
Rot. Bonds6

About 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide (PubChem CID 164631140) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide
PubChem CID164631140
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC[C@H](C)N3CCOCC3)n[nH]2)s1
InChIInChI=1S/C17H24N4O2S/c1-12(21-7-9-23-10-8-21)5-6-18-17(22)15-11-14(19-20-15)16-4-3-13(2)24-16/h3-4,11-12H,5-10H2,1-2H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyKSHZZQCIDCEIHS-LBPRGKRZSA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-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 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide (CID 164631140) is 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC[C@H](C)N3CCOCC3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KSHZZQCIDCEIHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(21-7-9-23-10-8-21)5-6-18-17(22)15-11-14(19-20-15)16-4-3-13(2)24-16/h3-4,11-12H,5-10H2,1-2H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-[(3S)-3-morpholin-4-ylbutyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164631140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).