[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

C15H20N6O2 — CID 164631489

IUPAC[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cn[nH]c2)CCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C15H20N6O2/c1-2-3-13-10-20(14(22)11-6-16-17-7-11)4-5-21(13)15(23)12-8-18-19-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyXFZHJNCHHAFRSV-ZDUSSCGKSA-N
MW316.36 g/mol
LogP0.90
Rot. Bonds4

About [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 164631489) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID164631489
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cn[nH]c2)CCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C15H20N6O2/c1-2-3-13-10-20(14(22)11-6-16-17-7-11)4-5-21(13)15(23)12-8-18-19-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyXFZHJNCHHAFRSV-ZDUSSCGKSA-N
XLogP0.90
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 164631489) is [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is CCC[C@H]1CN(C(=O)c2cn[nH]c2)CCN1C(=O)c1cn[nH]c1.
What is the InChIKey of [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is XFZHJNCHHAFRSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-3-13-10-20(14(22)11-6-16-17-7-11)4-5-21(13)15(23)12-8-18-19-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 164631489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).