[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C19H30N6O — CID 46982560

IUPAC[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C19H30N6O/c1-4-6-16-10-18(22-20-16)19(26)24-8-5-7-15(11-24)12-25-13-17(21-23-25)9-14(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H,20,22)
InChIKeyCMLANQWREOLFPZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.70
Rot. Bonds7

About [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 46982560) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID46982560
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C19H30N6O/c1-4-6-16-10-18(22-20-16)19(26)24-8-5-7-15(11-24)12-25-13-17(21-23-25)9-14(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H,20,22)
InChIKeyCMLANQWREOLFPZ-UHFFFAOYSA-N
XLogP2.70
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 46982560) is [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC(Cn3cc(CC(C)C)nn3)C2)n[nH]1.
What is the InChIKey of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is CMLANQWREOLFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-6-16-10-18(22-20-16)19(26)24-8-5-7-15(11-24)12-25-13-17(21-23-25)9-14(2)3/h10,13-15H,4-9,11-12H2,1-3H3,(H,20,22).
What are the key properties of [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 358.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 46982560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).