3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide

C13H22N4O — CID 74239540

IUPAC3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide
SMILESCn1nccc1CCC(=O)NCC1CCCNC1
InChIInChI=1S/C13H22N4O/c1-17-12(6-8-16-17)4-5-13(18)15-10-11-3-2-7-14-9-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,15,18)
InChIKeyNJZTVQNOWYRZQK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.47
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide

3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 74239540) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID74239540
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide
SMILESCn1nccc1CCC(=O)NCC1CCCNC1
InChIInChI=1S/C13H22N4O/c1-17-12(6-8-16-17)4-5-13(18)15-10-11-3-2-7-14-9-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,15,18)
InChIKeyNJZTVQNOWYRZQK-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide (CID 74239540) is 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide is Cn1nccc1CCC(=O)NCC1CCCNC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is NJZTVQNOWYRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(6-8-16-17)4-5-13(18)15-10-11-3-2-7-14-9-11/h6,8,11,14H,2-5,7,9-10H2,1H3,(H,15,18).
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide?
3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 74239540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).