1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea

C11H13N5O — CID 117334161

IUPAC1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1ccccc1-c1cc(N)n[nH]1
InChIInChI=1S/C11H13N5O/c1-16(11(13)17)9-5-3-2-4-7(9)8-6-10(12)15-14-8/h2-6H,1H3,(H2,13,17)(H3,12,14,15)
InChIKeyUEJMIBLWPWXODZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.17
Rot. Bonds2

About 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea

1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea (PubChem CID 117334161) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
PubChem CID117334161
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1ccccc1-c1cc(N)n[nH]1
InChIInChI=1S/C11H13N5O/c1-16(11(13)17)9-5-3-2-4-7(9)8-6-10(12)15-14-8/h2-6H,1H3,(H2,13,17)(H3,12,14,15)
InChIKeyUEJMIBLWPWXODZ-UHFFFAOYSA-N
XLogP1.17
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[carbamoyl(methyl)amino]phenyl]-1H-pyrazole-5-carboxylic acid
CID 117404430
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297750
5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117353163
5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
CID 88558873
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
CID 117427035
5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117358203
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
1-(2-chloro-3-pyridinyl)-1-methylurea
CID 87395071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea?
The IUPAC name of 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea (CID 117334161) is 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea?
The canonical SMILES for 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea is CN(C(N)=O)c1ccccc1-c1cc(N)n[nH]1.
What is the InChIKey of 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea?
The InChIKey is UEJMIBLWPWXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16(11(13)17)9-5-3-2-4-7(9)8-6-10(12)15-14-8/h2-6H,1H3,(H2,13,17)(H3,12,14,15).
What are the key properties of 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea?
1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea has a molecular weight of 231.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1-methylurea is sourced from PubChem (CID 117334161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).