2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide

C11H16N4O — CID 114693924

IUPAC2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C11H16N4O/c1-15-10(4-7-14-15)11(16)13-8-9-2-5-12-6-3-9/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,16)
InChIKeyFDFYNRGPNNANTD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.07
Rot. Bonds3

About 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 114693924) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID114693924
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C11H16N4O/c1-15-10(4-7-14-15)11(16)13-8-9-2-5-12-6-3-9/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,16)
InChIKeyFDFYNRGPNNANTD-UHFFFAOYSA-N
XLogP0.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693607
1-methyl-4-nitro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693730
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 114693994
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
2-methylsulfanyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 114693692
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 62299080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 114693924) is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1=CCNCC1.
What is the InChIKey of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is FDFYNRGPNNANTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-10(4-7-14-15)11(16)13-8-9-2-5-12-6-3-9/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,16).
What are the key properties of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide?
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 114693924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).