N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

C17H26N6O — CID 95848683

IUPACN,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1(C)CCN(Cc2cncn2C)CC1
InChIInChI=1S/C17H26N6O/c1-17(15-14(10-19-20-15)16(24)21(2)3)5-7-23(8-6-17)11-13-9-18-12-22(13)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyDHAFVJXHTZCJDY-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.40
Rot. Bonds4

About N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848683) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848683
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1(C)CCN(Cc2cncn2C)CC1
InChIInChI=1S/C17H26N6O/c1-17(15-14(10-19-20-15)16(24)21(2)3)5-7-23(8-6-17)11-13-9-18-12-22(13)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyDHAFVJXHTZCJDY-UHFFFAOYSA-N
XLogP1.40
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 95848683) is N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1(C)CCN(Cc2cncn2C)CC1.
What is the InChIKey of N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is DHAFVJXHTZCJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-17(15-14(10-19-20-15)16(24)21(2)3)5-7-23(8-6-17)11-13-9-18-12-22(13)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20).
What are the key properties of N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-methyl-1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).