(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

C16H23N7O — CID 118765935

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C16H23N7O/c24-15(13-10-18-20-14(13)12-4-2-1-3-5-12)22-6-8-23(9-7-22)16-17-11-19-21-16/h10-12H,1-9H2,(H,18,20)(H,17,19,21)
InChIKeyCYMKVLHGOAJWJY-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.54
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 118765935) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID118765935
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C16H23N7O/c24-15(13-10-18-20-14(13)12-4-2-1-3-5-12)22-6-8-23(9-7-22)16-17-11-19-21-16/h10-12H,1-9H2,(H,18,20)(H,17,19,21)
InChIKeyCYMKVLHGOAJWJY-UHFFFAOYSA-N
XLogP1.54
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 118765935) is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is CYMKVLHGOAJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c24-15(13-10-18-20-14(13)12-4-2-1-3-5-12)22-6-8-23(9-7-22)16-17-11-19-21-16/h10-12H,1-9H2,(H,18,20)(H,17,19,21).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 329.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 118765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).