(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C14H18N4O — CID 110467043

IUPAC(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H18N4O/c1-16-8-2-4-13(16)14(19)17-10-5-12(6-11-17)18-9-3-7-15-18/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyULBNYTHIJXUTCH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds2

About (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 110467043) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID110467043
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H18N4O/c1-16-8-2-4-13(16)14(19)17-10-5-12(6-11-17)18-9-3-7-15-18/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyULBNYTHIJXUTCH-UHFFFAOYSA-N
XLogP1.70
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-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

(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
(5-methylfuran-3-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 136533921
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
1-(1-methylpyrazol-4-yl)-5-(4-pyrazol-1-ylpiperidine-1-carbonyl)pyridin-2-one
CID 139003452
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
(4-pyrazol-1-ylpiperidin-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 99616335
(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110451467
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 110467043) is (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cn1cccc1C(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is ULBNYTHIJXUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-16-8-2-4-13(16)14(19)17-10-5-12(6-11-17)18-9-3-7-15-18/h2-4,7-9,12H,5-6,10-11H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110467043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).