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

C14H19N5O — CID 95135121

IUPAC1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-12(11-19-10-4-8-17-19)18-14(20)16-9-6-13-5-2-3-7-15-13/h2-5,7-8,10,12H,6,9,11H2,1H3,(H2,16,18,20)/t12-/m0/s1
InChIKeyABWWIGUBJAPJQQ-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds6

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

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 95135121) 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-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID95135121
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESC[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1
InChIInChI=1S/C14H19N5O/c1-12(11-19-10-4-8-17-19)18-14(20)16-9-6-13-5-2-3-7-15-13/h2-5,7-8,10,12H,6,9,11H2,1H3,(H2,16,18,20)/t12-/m0/s1
InChIKeyABWWIGUBJAPJQQ-LBPRGKRZSA-N
XLogP1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101959
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1-(3-hydroxy-3-phenylbutyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 138044191
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97088027
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 94180964
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea (CID 95135121) is 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea is C[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1.
What is the InChIKey of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is ABWWIGUBJAPJQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-12(11-19-10-4-8-17-19)18-14(20)16-9-6-13-5-2-3-7-15-13/h2-5,7-8,10,12H,6,9,11H2,1H3,(H2,16,18,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea?
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.21, 6 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-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 95135121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).