1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C14H22N4O — CID 54877453

IUPAC1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-9-15-16-10-13)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,15,16)
InChIKeyBURIIFGUAFCZAC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds3

About 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 54877453) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID54877453
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-9-15-16-10-13)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,15,16)
InChIKeyBURIIFGUAFCZAC-UHFFFAOYSA-N
XLogP1.36
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80665317
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
[(2S)-1-methylpyrrolidin-2-yl]-[4-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155496109
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
[2-(chloromethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63395147
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876820

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 54877453) is 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BURIIFGUAFCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(13-9-15-16-10-13)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 54877453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).