1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

C14H18N4O2 — CID 94029140

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESC[C@H](CO)NC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-11(10-19)17-14(20)15-7-12-8-16-18(9-12)13-5-3-2-4-6-13/h2-6,8-9,11,19H,7,10H2,1H3,(H2,15,17,20)/t11-/m1/s1
InChIKeyWYMWIYDQQCIWQC-LLVKDONJSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds5

About 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 94029140) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID94029140
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESC[C@H](CO)NC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-11(10-19)17-14(20)15-7-12-8-16-18(9-12)13-5-3-2-4-6-13/h2-6,8-9,11,19H,7,10H2,1H3,(H2,15,17,20)/t11-/m1/s1
InChIKeyWYMWIYDQQCIWQC-LLVKDONJSA-N
XLogP1.05
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125787
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 86969996
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 111504369
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 94029140) is 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is C[C@H](CO)NC(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is WYMWIYDQQCIWQC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(10-19)17-14(20)15-7-12-8-16-18(9-12)13-5-3-2-4-6-13/h2-6,8-9,11,19H,7,10H2,1H3,(H2,15,17,20)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 94029140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).