(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H26N4O — CID 56818111

IUPAC(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-2-6-13-11-15(18-17-13)16(21)20-10-5-7-14(12-20)19-8-3-4-9-19/h11,14H,2-10,12H2,1H3,(H,17,18)
InChIKeyJGNHAILPJKWMGJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds4

About (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56818111) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56818111
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCCC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-2-6-13-11-15(18-17-13)16(21)20-10-5-7-14(12-20)19-8-3-4-9-19/h11,14H,2-10,12H2,1H3,(H,17,18)
InChIKeyJGNHAILPJKWMGJ-UHFFFAOYSA-N
XLogP2.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(3S)-1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696802
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86823293
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56818111) is (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is CCCc1cc(C(=O)N2CCCC(N3CCCC3)C2)n[nH]1.
What is the InChIKey of (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JGNHAILPJKWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-6-13-11-15(18-17-13)16(21)20-10-5-7-14(12-20)19-8-3-4-9-19/h11,14H,2-10,12H2,1H3,(H,17,18).
What are the key properties of (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56818111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).