[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea

C15H16N6O — CID 133489118

IUPAC[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
SMILESCc1cc2c(NCc3ccc(NC(N)=O)cc3)nccn2n1
InChIInChI=1S/C15H16N6O/c1-10-8-13-14(17-6-7-21(13)20-10)18-9-11-2-4-12(5-3-11)19-15(16)22/h2-8H,9H2,1H3,(H,17,18)(H3,16,19,22)
InChIKeyJINIFWPUACQOPB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.14
Rot. Bonds4

About [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea

[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea (PubChem CID 133489118) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
PubChem CID133489118
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
SMILESCc1cc2c(NCc3ccc(NC(N)=O)cc3)nccn2n1
InChIInChI=1S/C15H16N6O/c1-10-8-13-14(17-6-7-21(13)20-10)18-9-11-2-4-12(5-3-11)19-15(16)22/h2-8H,9H2,1H3,(H,17,18)(H3,16,19,22)
InChIKeyJINIFWPUACQOPB-UHFFFAOYSA-N
XLogP2.14
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea with MolForge

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Related Compounds

4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
CID 133489141
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104918883

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea?
The IUPAC name of [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea (CID 133489118) is [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea.
What is the SMILES notation for [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea?
The canonical SMILES for [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea is Cc1cc2c(NCc3ccc(NC(N)=O)cc3)nccn2n1.
What is the InChIKey of [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea?
The InChIKey is JINIFWPUACQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-8-13-14(17-6-7-21(13)20-10)18-9-11-2-4-12(5-3-11)19-15(16)22/h2-8H,9H2,1H3,(H,17,18)(H3,16,19,22).
What are the key properties of [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea?
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea has a molecular weight of 296.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea is sourced from PubChem (CID 133489118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).