5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide

C16H19N3O2S — CID 91782379

IUPAC5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H19N3O2S/c20-11-6-10(7-11)15(14-2-1-5-22-14)17-16(21)13-8-12(18-19-13)9-3-4-9/h1-2,5,8-11,15,20H,3-4,6-7H2,(H,17,21)(H,18,19)
InChIKeyZWJQKRRHBHIWRI-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.59
Rot. Bonds5

About 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide (PubChem CID 91782379) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
PubChem CID91782379
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H19N3O2S/c20-11-6-10(7-11)15(14-2-1-5-22-14)17-16(21)13-8-12(18-19-13)9-3-4-9/h1-2,5,8-11,15,20H,3-4,6-7H2,(H,17,21)(H,18,19)
InChIKeyZWJQKRRHBHIWRI-UHFFFAOYSA-N
XLogP2.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide (CID 91782379) is 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide is O=C(NC(c1cccs1)C1CC(O)C1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZWJQKRRHBHIWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-11-6-10(7-11)15(14-2-1-5-22-14)17-16(21)13-8-12(18-19-13)9-3-4-9/h1-2,5,8-11,15,20H,3-4,6-7H2,(H,17,21)(H,18,19).
What are the key properties of 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91782379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).