N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C17H24N6O — CID 172881038

IUPACN,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cnc(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)nc1
InChIInChI=1S/C17H24N6O/c1-13-8-18-17(19-9-13)23-6-4-14(5-7-23)11-21(2)16(24)15-10-20-22(3)12-15/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyRAFDMLFGWOHVEZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.51
Rot. Bonds4

About N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 172881038) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID172881038
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cnc(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)nc1
InChIInChI=1S/C17H24N6O/c1-13-8-18-17(19-9-13)23-6-4-14(5-7-23)11-21(2)16(24)15-10-20-22(3)12-15/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyRAFDMLFGWOHVEZ-UHFFFAOYSA-N
XLogP1.51
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881921
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881197
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172900726
N,1-dimethyl-N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172892297
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172892732
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648675
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 172881038) is N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cc1cnc(N2CCC(CN(C)C(=O)c3cnn(C)c3)CC2)nc1.
What is the InChIKey of N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is RAFDMLFGWOHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-8-18-17(19-9-13)23-6-4-14(5-7-23)11-21(2)16(24)15-10-20-22(3)12-15/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 172881038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).