[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C22H29ClN4O2 — CID 24794120

IUPAC[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c(Cl)c1CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C22H29ClN4O2/c1-16-20(21(23)25(2)24-16)15-26-13-9-19(10-14-26)29-18-7-5-17(6-8-18)22(28)27-11-3-4-12-27/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyFDHBSFCOCPZBDB-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.66
Rot. Bonds5

About [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24794120) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24794120
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c(Cl)c1CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C22H29ClN4O2/c1-16-20(21(23)25(2)24-16)15-26-13-9-19(10-14-26)29-18-7-5-17(6-8-18)22(28)27-11-3-4-12-27/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyFDHBSFCOCPZBDB-UHFFFAOYSA-N
XLogP3.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24794120) is [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is Cc1nn(C)c(Cl)c1CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FDHBSFCOCPZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-16-20(21(23)25(2)24-16)15-26-13-9-19(10-14-26)29-18-7-5-17(6-8-18)22(28)27-11-3-4-12-27/h5-8,19H,3-4,9-15H2,1-2H3.
What are the key properties of [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 416.95 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24794120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).