(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H29N7O2 — CID 72854393

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1C
InChIInChI=1S/C19H29N7O2/c1-24(9-10-27)12-17-22-23-18(25(17)2)14-5-7-26(8-6-14)19(28)16-11-15(20-21-16)13-3-4-13/h11,13-14,27H,3-10,12H2,1-2H3,(H,20,21)
InChIKeyFAKKVSVYEZZTAO-UHFFFAOYSA-N
MW387.49 g/mol
LogP0.86
Rot. Bonds7

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72854393) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72854393
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1C
InChIInChI=1S/C19H29N7O2/c1-24(9-10-27)12-17-22-23-18(25(17)2)14-5-7-26(8-6-14)19(28)16-11-15(20-21-16)13-3-4-13/h11,13-14,27H,3-10,12H2,1-2H3,(H,20,21)
InChIKeyFAKKVSVYEZZTAO-UHFFFAOYSA-N
XLogP0.86
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72854393) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(CCO)Cc1nnc(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1C.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is FAKKVSVYEZZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-24(9-10-27)12-17-22-23-18(25(17)2)14-5-7-26(8-6-14)19(28)16-11-15(20-21-16)13-3-4-13/h11,13-14,27H,3-10,12H2,1-2H3,(H,20,21).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 387.49 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72854393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).