1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C13H20N4O — CID 55169930

IUPAC1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H20N4O/c18-13(11-8-15-16-9-11)17-6-3-10(4-7-17)12-2-1-5-14-12/h8-10,12,14H,1-7H2,(H,15,16)
InChIKeyQUOXAMLEWCYVHI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds2

About 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 55169930) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID55169930
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H20N4O/c18-13(11-8-15-16-9-11)17-6-3-10(4-7-17)12-2-1-5-14-12/h8-10,12,14H,1-7H2,(H,15,16)
InChIKeyQUOXAMLEWCYVHI-UHFFFAOYSA-N
XLogP1.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-Methanesulfonyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910294
N-methyl-4-[1-(1H-pyrazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91921353
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 55169930) is 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cn[nH]c1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is QUOXAMLEWCYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(11-8-15-16-9-11)17-6-3-10(4-7-17)12-2-1-5-14-12/h8-10,12,14H,1-7H2,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 55169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).