1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

C17H26N6O — CID 164643382

IUPAC1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC[C@H]1CCCN(Cc2ccnn2C)C1
InChIInChI=1S/C17H26N6O/c1-13-16(12-21(2)20-13)17(24)18-9-14-5-4-8-23(10-14)11-15-6-7-19-22(15)3/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,24)/t14-/m1/s1
InChIKeyFFHHPFHXWFNZCH-CQSZACIVSA-N
MW330.44 g/mol
LogP1.10
Rot. Bonds5

About 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 164643382) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID164643382
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC[C@H]1CCCN(Cc2ccnn2C)C1
InChIInChI=1S/C17H26N6O/c1-13-16(12-21(2)20-13)17(24)18-9-14-5-4-8-23(10-14)11-15-6-7-19-22(15)3/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,24)/t14-/m1/s1
InChIKeyFFHHPFHXWFNZCH-CQSZACIVSA-N
XLogP1.10
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

Dimpropyridaz
CID 89968867
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CID 165415372
5-methyl-1-(3-methylbutan-2-yl)-N-(pyridazin-4-yl)-1H-pyrazole-4-carboxamide
CID 168450425
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
(5-Cyclopropyl-1-methylpyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53554201
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53558761
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53566469
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 164643382) is 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(Cc2ccnn2C)C1.
What is the InChIKey of 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is FFHHPFHXWFNZCH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-16(12-21(2)20-13)17(24)18-9-14-5-4-8-23(10-14)11-15-6-7-19-22(15)3/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,18,24)/t14-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164643382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).