1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea

C15H17N5O2 — CID 86799894

IUPAC1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2ccn(C)n2)cc1C#N
InChIInChI=1S/C15H17N5O2/c1-10(2)22-13-5-4-12(8-11(13)9-16)17-15(21)18-14-6-7-20(3)19-14/h4-8,10H,1-3H3,(H2,17,18,19,21)
InChIKeyDHOTWBOOAJVIKP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea

1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 86799894) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID86799894
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2ccn(C)n2)cc1C#N
InChIInChI=1S/C15H17N5O2/c1-10(2)22-13-5-4-12(8-11(13)9-16)17-15(21)18-14-6-7-20(3)19-14/h4-8,10H,1-3H3,(H2,17,18,19,21)
InChIKeyDHOTWBOOAJVIKP-UHFFFAOYSA-N
XLogP2.72
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]urea
CID 99800243
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
2-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
N-(3-cyano-4-propan-2-yloxyphenyl)formamide
CID 169157316
1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99579597
N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 141478642
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347
N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 75456168

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea (CID 86799894) is 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea is CC(C)Oc1ccc(NC(=O)Nc2ccn(C)n2)cc1C#N.
What is the InChIKey of 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is DHOTWBOOAJVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(2)22-13-5-4-12(8-11(13)9-16)17-15(21)18-14-6-7-20(3)19-14/h4-8,10H,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 299.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 86799894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).