1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea

C8H13N5O — CID 58440876

IUPAC1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea
SMILESCNC(=O)Nc1cc2n(n1)CCNC2
InChIInChI=1S/C8H13N5O/c1-9-8(14)11-7-4-6-5-10-2-3-13(6)12-7/h4,10H,2-3,5H2,1H3,(H2,9,11,12,14)
InChIKeyDSVLXXQCAQBIPJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.26
Rot. Bonds1

About 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea

1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea (PubChem CID 58440876) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea
PubChem CID58440876
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea
SMILESCNC(=O)Nc1cc2n(n1)CCNC2
InChIInChI=1S/C8H13N5O/c1-9-8(14)11-7-4-6-5-10-2-3-13(6)12-7/h4,10H,2-3,5H2,1H3,(H2,9,11,12,14)
InChIKeyDSVLXXQCAQBIPJ-UHFFFAOYSA-N
XLogP-0.26
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135409934
4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135540437
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
4-ethylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135477884
3-butyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135481129
3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135540428
5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-amine
CID 58043933
4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-amine
CID 84648343
2-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136108556
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136300223
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea?
The IUPAC name of 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea (CID 58440876) is 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea?
The canonical SMILES for 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea is CNC(=O)Nc1cc2n(n1)CCNC2.
What is the InChIKey of 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea?
The InChIKey is DSVLXXQCAQBIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-9-8(14)11-7-4-6-5-10-2-3-13(6)12-7/h4,10H,2-3,5H2,1H3,(H2,9,11,12,14).
What are the key properties of 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea?
1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea has a molecular weight of 195.23 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)urea is sourced from PubChem (CID 58440876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).