N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide

C20H23N5O — CID 175650893

IUPACN,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H23N5O/c1-23-14-15(13-22-23)20(26)24(2)16-8-11-25(12-9-16)19-7-10-21-18-6-4-3-5-17(18)19/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3
InChIKeyVBPNEMHCOSATRF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.71
Rot. Bonds3

About N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide

N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 175650893) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID175650893
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H23N5O/c1-23-14-15(13-22-23)20(26)24(2)16-8-11-25(12-9-16)19-7-10-21-18-6-4-3-5-17(18)19/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3
InChIKeyVBPNEMHCOSATRF-UHFFFAOYSA-N
XLogP2.71
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide (CID 175650893) is N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is VBPNEMHCOSATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-14-15(13-22-23)20(26)24(2)16-8-11-25(12-9-16)19-7-10-21-18-6-4-3-5-17(18)19/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide?
N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175650893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).