2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide

C12H19N5O3 — CID 95132232

IUPAC2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C12H19N5O3/c1-8(10-3-2-4-20-10)15-12(19)16-9-5-14-17(6-9)7-11(13)18/h5-6,8,10H,2-4,7H2,1H3,(H2,13,18)(H2,15,16,19)/t8-,10-/m0/s1
InChIKeyUOXKBRHYOQMYQI-WPRPVWTQSA-N
MW281.32 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide

2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 95132232) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID95132232
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C12H19N5O3/c1-8(10-3-2-4-20-10)15-12(19)16-9-5-14-17(6-9)7-11(13)18/h5-6,8,10H,2-4,7H2,1H3,(H2,13,18)(H2,15,16,19)/t8-,10-/m0/s1
InChIKeyUOXKBRHYOQMYQI-WPRPVWTQSA-N
XLogP0.06
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94031414
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
CID 95973999
2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
CID 43783565
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide (CID 95132232) is 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide is C[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CCCO1.
What is the InChIKey of 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is UOXKBRHYOQMYQI-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-8(10-3-2-4-20-10)15-12(19)16-9-5-14-17(6-9)7-11(13)18/h5-6,8,10H,2-4,7H2,1H3,(H2,13,18)(H2,15,16,19)/t8-,10-/m0/s1.
What are the key properties of 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide?
2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 95132232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).