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

C19H30N6O — CID 46983182

IUPAC(1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCC(n3cc(CC(C)C)nn3)CC2)n(C)n1
InChIInChI=1S/C19H30N6O/c1-5-6-15-12-18(23(4)21-15)19(26)24-9-7-17(8-10-24)25-13-16(20-22-25)11-14(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyIEPPKNGXHNDXHN-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.64
Rot. Bonds6

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

(1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46983182) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46983182
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name(1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCC(n3cc(CC(C)C)nn3)CC2)n(C)n1
InChIInChI=1S/C19H30N6O/c1-5-6-15-12-18(23(4)21-15)19(26)24-9-7-17(8-10-24)25-13-16(20-22-25)11-14(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyIEPPKNGXHNDXHN-UHFFFAOYSA-N
XLogP2.64
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10022354, Example 37
CID 121279685
US10022354, Example 199
CID 132070221
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
(5-Cyclopropyl-1-methylpyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53554201
1-{1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-azetidinyl}-2-methylpiperidine
CID 70719918
1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinecarbonitrile
CID 70735455
N,N-diethyl-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
CID 70762442
3-isobutyl-1-methyl-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70779406
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-(4H-1,2,4-triazol-4-yl)piperidine
CID 72910721
3-({3-[(4-isobutyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)-4,5,6,7-tetrahydro-2H-indazole
CID 46992938

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone (CID 46983182) is (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone is CCCc1cc(C(=O)N2CCC(n3cc(CC(C)C)nn3)CC2)n(C)n1.
What is the InChIKey of (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is IEPPKNGXHNDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-5-6-15-12-18(23(4)21-15)19(26)24-9-7-17(8-10-24)25-13-16(20-22-25)11-14(2)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone?
(1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propylpyrazol-5-yl)-[4-[4-(2-methylpropyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46983182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).