N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide

C12H19N3O — CID 94609346

IUPACN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2CCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-11(8-14-15)5-6-12(16)13-7-10-3-2-4-10/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyUVMKQUFZVABGIX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds5

About N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 94609346) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID94609346
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2CCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-11(8-14-15)5-6-12(16)13-7-10-3-2-4-10/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyUVMKQUFZVABGIX-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119513351
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CID 102548376
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 129369601
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 131937123
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 116794202
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 94609346) is N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCC2CCC2)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is UVMKQUFZVABGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9-11(8-14-15)5-6-12(16)13-7-10-3-2-4-10/h8-10H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94609346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).