[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

C20H29N5O — CID 72878455

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C20H29N5O/c1-4-25-18(14-17(23-25)13-15(2)3)20(26)24-11-8-16(9-12-24)22-19-7-5-6-10-21-19/h5-7,10,14-16H,4,8-9,11-13H2,1-3H3,(H,21,22)
InChIKeyCYLYZHMIXDUWFV-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.21
Rot. Bonds6

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 72878455) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
PubChem CID72878455
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C20H29N5O/c1-4-25-18(14-17(23-25)13-15(2)3)20(26)24-11-8-16(9-12-24)22-19-7-5-6-10-21-19/h5-7,10,14-16H,4,8-9,11-13H2,1-3H3,(H,21,22)
InChIKeyCYLYZHMIXDUWFV-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74238983
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
CID 162636784
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72896278
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 133132402
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70779113
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56739225

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (CID 72878455) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is CYLYZHMIXDUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-25-18(14-17(23-25)13-15(2)3)20(26)24-11-8-16(9-12-24)22-19-7-5-6-10-21-19/h5-7,10,14-16H,4,8-9,11-13H2,1-3H3,(H,21,22).
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 355.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 72878455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).