[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

C19H24ClN5O — CID 118450482

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H24ClN5O/c1-14-3-2-8-24(14)19(26)15-5-9-23(10-6-15)18-12-21-7-4-17(18)25-13-16(20)11-22-25/h4,7,11-15H,2-3,5-6,8-10H2,1H3
InChIKeyWNIUQTDQTFIYCM-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.15
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 118450482) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID118450482
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H24ClN5O/c1-14-3-2-8-24(14)19(26)15-5-9-23(10-6-15)18-12-21-7-4-17(18)25-13-16(20)11-22-25/h4,7,11-15H,2-3,5-6,8-10H2,1H3
InChIKeyWNIUQTDQTFIYCM-UHFFFAOYSA-N
XLogP3.15
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 20
CID 76284254
US9963443, Reference Example 26
CID 76284255
US9963443, Reference Example 4
CID 118450573
US9963443, Reference Example 3
CID 118450643

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 118450482) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is WNIUQTDQTFIYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-14-3-2-8-24(14)19(26)15-5-9-23(10-6-15)18-12-21-7-4-17(18)25-13-16(20)11-22-25/h4,7,11-15H,2-3,5-6,8-10H2,1H3.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 373.89 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 118450482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).