1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide

C16H20BrN5O — CID 118450728

IUPAC1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(Br)cn2)CC1
InChIInChI=1S/C16H20BrN5O/c1-20(2)16(23)12-4-7-21(8-5-12)15-10-18-6-3-14(15)22-11-13(17)9-19-22/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyAOSOCHGBCVQORG-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 118450728) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID118450728
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(Br)cn2)CC1
InChIInChI=1S/C16H20BrN5O/c1-20(2)16(23)12-4-7-21(8-5-12)15-10-18-6-3-14(15)22-11-13(17)9-19-22/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyAOSOCHGBCVQORG-UHFFFAOYSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.33
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-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24791954
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-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide (CID 118450728) is 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cnccc2-n2cc(Br)cn2)CC1.
What is the InChIKey of 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is AOSOCHGBCVQORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-20(2)16(23)12-4-7-21(8-5-12)15-10-18-6-3-14(15)22-11-13(17)9-19-22/h3,6,9-12H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 118450728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).