N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

C12H22N4O — CID 95613902

IUPACN-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESCCNC(=O)CCN[C@H](C)[C@H](C)n1cccn1
InChIInChI=1S/C12H22N4O/c1-4-13-12(17)6-8-14-10(2)11(3)16-9-5-7-15-16/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,13,17)/t10-,11+/m1/s1
InChIKeySYUDOANMEOTOPZ-MNOVXSKESA-N
MW238.33 g/mol
LogP0.95
Rot. Bonds7

About N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (PubChem CID 95613902) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
PubChem CID95613902
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESCCNC(=O)CCN[C@H](C)[C@H](C)n1cccn1
InChIInChI=1S/C12H22N4O/c1-4-13-12(17)6-8-14-10(2)11(3)16-9-5-7-15-16/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,13,17)/t10-,11+/m1/s1
InChIKeySYUDOANMEOTOPZ-MNOVXSKESA-N
XLogP0.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-1-yl)acetamide
CID 14028978
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
N-[2,2-dimethyl-1-(pyrazolylmethyl)propyl](1-methylpyrazol-4-yl)carboxamide
CID 19575931
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47214951
1-[2-(2-Oxoazepan-1-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51083066
N-cyclopropyl-N-ethyl-3-pyrazol-1-ylpropanamide
CID 53521306
N-methyl-N-(4-methylpentan-2-yl)-3-pyrazol-1-ylpropanamide
CID 53524475
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53618683
2-(Diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The IUPAC name of N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (CID 95613902) is N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is CCNC(=O)CCN[C@H](C)[C@H](C)n1cccn1.
What is the InChIKey of N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The InChIKey is SYUDOANMEOTOPZ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-12(17)6-8-14-10(2)11(3)16-9-5-7-15-16/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,13,17)/t10-,11+/m1/s1.
What are the key properties of N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is sourced from PubChem (CID 95613902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).