[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone

C19H22ClN3O2 — CID 166335700

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
SMILESCC1(c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n[nH]2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-19(8-9-19)17-12-16(21-22-17)18(24)23-10-6-15(7-11-23)25-14-4-2-13(20)3-5-14/h2-5,12,15H,6-11H2,1H3,(H,21,22)
InChIKeyIFFSCDAXZJXZFP-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.80
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone (PubChem CID 166335700) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
PubChem CID166335700
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
SMILESCC1(c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n[nH]2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-19(8-9-19)17-12-16(21-22-17)18(24)23-10-6-15(7-11-23)25-14-4-2-13(20)3-5-14/h2-5,12,15H,6-11H2,1H3,(H,21,22)
InChIKeyIFFSCDAXZJXZFP-UHFFFAOYSA-N
XLogP3.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-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-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 166316342
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
[4-(4-chlorophenoxy)piperidin-1-yl]-(4,6-dihydro-1H-furo[3,4-d]pyrazol-3-yl)methanone
CID 166334274
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone (CID 166335700) is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone is CC1(c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)n[nH]2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is IFFSCDAXZJXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(8-9-19)17-12-16(21-22-17)18(24)23-10-6-15(7-11-23)25-14-4-2-13(20)3-5-14/h2-5,12,15H,6-11H2,1H3,(H,21,22).
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 359.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 166335700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).