N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C15H19N3OS — CID 126782892

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)C1(CNC(=O)c2cn[nH]c2-c2ccsc2)CC1
InChIInChI=1S/C15H19N3OS/c1-10(2)15(4-5-15)9-16-14(19)12-7-17-18-13(12)11-3-6-20-8-11/h3,6-8,10H,4-5,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXHSVXHNSOKOVKX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.30
Rot. Bonds5

About N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 126782892) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID126782892
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)C1(CNC(=O)c2cn[nH]c2-c2ccsc2)CC1
InChIInChI=1S/C15H19N3OS/c1-10(2)15(4-5-15)9-16-14(19)12-7-17-18-13(12)11-3-6-20-8-11/h3,6-8,10H,4-5,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXHSVXHNSOKOVKX-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 126782892) is N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is CC(C)C1(CNC(=O)c2cn[nH]c2-c2ccsc2)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XHSVXHNSOKOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)15(4-5-15)9-16-14(19)12-7-17-18-13(12)11-3-6-20-8-11/h3,6-8,10H,4-5,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126782892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).