(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C18H22N4O2 — CID 118760999

IUPAC(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H22N4O2/c1-12-16(17(21-20-12)13-2-3-13)18(23)22-10-6-15(7-11-22)24-14-4-8-19-9-5-14/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyCPVKSBFSPNBTKN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds4

About (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 118760999) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID118760999
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H22N4O2/c1-12-16(17(21-20-12)13-2-3-13)18(23)22-10-6-15(7-11-22)24-14-4-8-19-9-5-14/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyCPVKSBFSPNBTKN-UHFFFAOYSA-N
XLogP2.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-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

(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)methanone
CID 56866125
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 43582071
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72934246
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70738903
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 118760999) is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is Cc1[nH]nc(C2CC2)c1C(=O)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is CPVKSBFSPNBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-16(17(21-20-12)13-2-3-13)18(23)22-10-6-15(7-11-22)24-14-4-8-19-9-5-14/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 118760999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).