1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea

C14H19N5O — CID 97087982

IUPAC1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)Cn1cccn1)c1ccccn1
InChIInChI=1S/C14H19N5O/c1-11(10-19-9-5-8-16-19)17-14(20)18-12(2)13-6-3-4-7-15-13/h3-9,11-12H,10H2,1-2H3,(H2,17,18,20)/t11-,12-/m0/s1
InChIKeyADHHCSURYNBWNK-RYUDHWBXSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds5

About 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 97087982) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID97087982
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)N[C@@H](C)Cn1cccn1)c1ccccn1
InChIInChI=1S/C14H19N5O/c1-11(10-19-9-5-8-16-19)17-14(20)18-12(2)13-6-3-4-7-15-13/h3-9,11-12H,10H2,1-2H3,(H2,17,18,20)/t11-,12-/m0/s1
InChIKeyADHHCSURYNBWNK-RYUDHWBXSA-N
XLogP1.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 97087982) is 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea is C[C@H](NC(=O)N[C@@H](C)Cn1cccn1)c1ccccn1.
What is the InChIKey of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is ADHHCSURYNBWNK-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(10-19-9-5-8-16-19)17-14(20)18-12(2)13-6-3-4-7-15-13/h3-9,11-12H,10H2,1-2H3,(H2,17,18,20)/t11-,12-/m0/s1.
What are the key properties of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 273.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 97087982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).