1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea

C12H14N6O — CID 58440737

IUPAC1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea
SMILESCNC(=O)Nc1cc2n(n1)CCN2c1cccnc1
InChIInChI=1S/C12H14N6O/c1-13-12(19)15-10-7-11-17(5-6-18(11)16-10)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H2,13,15,16,19)
InChIKeySNBHVDIRDMJYMA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.18
Rot. Bonds2

About 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea

1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea (PubChem CID 58440737) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea
PubChem CID58440737
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea
SMILESCNC(=O)Nc1cc2n(n1)CCN2c1cccnc1
InChIInChI=1S/C12H14N6O/c1-13-12(19)15-10-7-11-17(5-6-18(11)16-10)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H2,13,15,16,19)
InChIKeySNBHVDIRDMJYMA-UHFFFAOYSA-N
XLogP1.18
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea?
The IUPAC name of 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea (CID 58440737) is 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea.
What is the SMILES notation for 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea?
The canonical SMILES for 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea is CNC(=O)Nc1cc2n(n1)CCN2c1cccnc1.
What is the InChIKey of 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea?
The InChIKey is SNBHVDIRDMJYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-13-12(19)15-10-7-11-17(5-6-18(11)16-10)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H2,13,15,16,19).
What are the key properties of 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea?
1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea has a molecular weight of 258.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea is sourced from PubChem (CID 58440737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).