5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

C17H24N4OS — CID 51959094

IUPAC5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)n[nH]1
InChIInChI=1S/C17H24N4OS/c1-12(2)13-10-14(20-19-13)17(22)18-11-15(16-6-5-9-23-16)21-7-3-4-8-21/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyBIUUTZVVCXUVEM-HNNXBMFYSA-N
MW332.47 g/mol
LogP3.16
Rot. Bonds6

About 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 51959094) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID51959094
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)n[nH]1
InChIInChI=1S/C17H24N4OS/c1-12(2)13-10-14(20-19-13)17(22)18-11-15(16-6-5-9-23-16)21-7-3-4-8-21/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyBIUUTZVVCXUVEM-HNNXBMFYSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (CID 51959094) is 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BIUUTZVVCXUVEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)13-10-14(20-19-13)17(22)18-11-15(16-6-5-9-23-16)21-7-3-4-8-21/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3,(H,18,22)(H,19,20)/t15-/m0/s1.
What are the key properties of 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51959094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).