N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide

C17H23N5OS — CID 164631714

IUPACN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CCN(c3cccs3)CC2)cn1
InChIInChI=1S/C17H23N5OS/c1-13(14-4-5-14)22-12-15(11-18-22)19-17(23)21-8-6-20(7-9-21)16-3-2-10-24-16/h2-3,10-14H,4-9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeySWPHXLGDEYCVMT-ZDUSSCGKSA-N
MW345.47 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide

N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 164631714) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID164631714
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESC[C@@H](C1CC1)n1cc(NC(=O)N2CCN(c3cccs3)CC2)cn1
InChIInChI=1S/C17H23N5OS/c1-13(14-4-5-14)22-12-15(11-18-22)19-17(23)21-8-6-20(7-9-21)16-3-2-10-24-16/h2-3,10-14H,4-9H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeySWPHXLGDEYCVMT-ZDUSSCGKSA-N
XLogP3.27
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide (CID 164631714) is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide is C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(c3cccs3)CC2)cn1.
What is the InChIKey of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is SWPHXLGDEYCVMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(14-4-5-14)22-12-15(11-18-22)19-17(23)21-8-6-20(7-9-21)16-3-2-10-24-16/h2-3,10-14H,4-9H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide?
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 164631714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).