(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C16H20N4OS — CID 53498731

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c21-16(15-9-14(17-18-15)13-1-2-13)20-6-4-19(5-7-20)10-12-3-8-22-11-12/h3,8-9,11,13H,1-2,4-7,10H2,(H,17,18)
InChIKeyLGQFVNMWLREYLA-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.31
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 53498731) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID53498731
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H20N4OS/c21-16(15-9-14(17-18-15)13-1-2-13)20-6-4-19(5-7-20)10-12-3-8-22-11-12/h3,8-9,11,13H,1-2,4-7,10H2,(H,17,18)
InChIKeyLGQFVNMWLREYLA-UHFFFAOYSA-N
XLogP2.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 53498731) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LGQFVNMWLREYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(15-9-14(17-18-15)13-1-2-13)20-6-4-19(5-7-20)10-12-3-8-22-11-12/h3,8-9,11,13H,1-2,4-7,10H2,(H,17,18).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53498731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).