(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone

C20H27N5O — CID 56919120

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C20H27N5O/c1-2-24(13-15-7-9-21-10-8-15)17-4-3-11-25(14-17)20(26)19-12-18(22-23-19)16-5-6-16/h7-10,12,16-17H,2-6,11,13-14H2,1H3,(H,22,23)
InChIKeyRIHYROJLWRJQRT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.81
Rot. Bonds6

About (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 56919120) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID56919120
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C20H27N5O/c1-2-24(13-15-7-9-21-10-8-15)17-4-3-11-25(14-17)20(26)19-12-18(22-23-19)16-5-6-16/h7-10,12,16-17H,2-6,11,13-14H2,1H3,(H,22,23)
InChIKeyRIHYROJLWRJQRT-UHFFFAOYSA-N
XLogP2.81
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135112662
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 45188632
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
(5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97149196
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929646

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone (CID 56919120) is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone is CCN(Cc1ccncc1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is RIHYROJLWRJQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-24(13-15-7-9-21-10-8-15)17-4-3-11-25(14-17)20(26)19-12-18(22-23-19)16-5-6-16/h7-10,12,16-17H,2-6,11,13-14H2,1H3,(H,22,23).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).