N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

C15H19BrN6O — CID 175649076

IUPACN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C15H19BrN6O/c1-20-9-11(6-19-20)14(23)21(2)13-4-3-5-22(10-13)15-17-7-12(16)8-18-15/h6-9,13H,3-5,10H2,1-2H3
InChIKeyZPZVMOBVFDKRPN-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.71
Rot. Bonds3

About N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175649076) has the molecular formula C15H19BrN6O and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175649076
Molecular FormulaC15H19BrN6O
Molecular Weight379.26 g/mol
Exact Mass378.08
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C15H19BrN6O/c1-20-9-11(6-19-20)14(23)21(2)13-4-3-5-22(10-13)15-17-7-12(16)8-18-15/h6-9,13H,3-5,10H2,1-2H3
InChIKeyZPZVMOBVFDKRPN-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649067
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175650104
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
N,1-dimethyl-N-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 175650638
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649467
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650748
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175651238
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175648252
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648675
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175649076) is N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCCN(c2ncc(Br)cn2)C1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ZPZVMOBVFDKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN6O/c1-20-9-11(6-19-20)14(23)21(2)13-4-3-5-22(10-13)15-17-7-12(16)8-18-15/h6-9,13H,3-5,10H2,1-2H3.
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175649076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).