N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide

C11H17N3O — CID 171523613

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C11H17N3O/c1-7(2)11(15)12-6-9-5-10(14-13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySTVFIUBBPOXGIX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds4

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide (PubChem CID 171523613) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
PubChem CID171523613
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C11H17N3O/c1-7(2)11(15)12-6-9-5-10(14-13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySTVFIUBBPOXGIX-UHFFFAOYSA-N
XLogP1.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Kdm5A-IN-1
CID 119081409
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one
CID 29253571
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N'-cyclopentyl-N-methylsuccinamide
CID 50968242
5-(2-methylpropyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53504724
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 71808534
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)cyclobutanecarboxamide
CID 71808537
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 71808540
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 71808546

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide (CID 171523613) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide?
The InChIKey is STVFIUBBPOXGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)11(15)12-6-9-5-10(14-13-9)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 171523613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).