N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

C17H22N4O — CID 167759352

IUPACN-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESNC1CC(CNC(=O)CCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H22N4O/c18-15-8-14(9-15)10-19-17(22)7-6-13-11-20-21(12-13)16-4-2-1-3-5-16/h1-5,11-12,14-15H,6-10,18H2,(H,19,22)
InChIKeyRYIPXKQMLRCFFW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.66
Rot. Bonds6

About N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 167759352) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID167759352
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESNC1CC(CNC(=O)CCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H22N4O/c18-15-8-14(9-15)10-19-17(22)7-6-13-11-20-21(12-13)16-4-2-1-3-5-16/h1-5,11-12,14-15H,6-10,18H2,(H,19,22)
InChIKeyRYIPXKQMLRCFFW-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
N-[(3-aminocyclobutyl)methyl]-4-phenylbutanamide
CID 66004709
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 167759352) is N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is NC1CC(CNC(=O)CCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is RYIPXKQMLRCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-15-8-14(9-15)10-19-17(22)7-6-13-11-20-21(12-13)16-4-2-1-3-5-16/h1-5,11-12,14-15H,6-10,18H2,(H,19,22).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 167759352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).