3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea

C19H27N5O — CID 118778801

IUPAC3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
SMILESCCCCN1CCn2nc(CNC(=O)N(C)c3ccccc3)cc2C1
InChIInChI=1S/C19H27N5O/c1-3-4-10-23-11-12-24-18(15-23)13-16(21-24)14-20-19(25)22(2)17-8-6-5-7-9-17/h5-9,13H,3-4,10-12,14-15H2,1-2H3,(H,20,25)
InChIKeyDBIVFZDPQYBTNX-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.84
Rot. Bonds6

About 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea

3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea (PubChem CID 118778801) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
PubChem CID118778801
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
SMILESCCCCN1CCn2nc(CNC(=O)N(C)c3ccccc3)cc2C1
InChIInChI=1S/C19H27N5O/c1-3-4-10-23-11-12-24-18(15-23)13-16(21-24)14-20-19(25)22(2)17-8-6-5-7-9-17/h5-9,13H,3-4,10-12,14-15H2,1-2H3,(H,20,25)
InChIKeyDBIVFZDPQYBTNX-UHFFFAOYSA-N
XLogP2.84
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea with MolForge

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Related Compounds

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
CID 118784917
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118771310
3-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
CID 70774635
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
methyl 2-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 118780767
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 118767939
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
1,1-dimethyl-3-[[5-[(1-methylindol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 70760444
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 171134954

Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea?
The IUPAC name of 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea (CID 118778801) is 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea.
What is the SMILES notation for 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea?
The canonical SMILES for 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea is CCCCN1CCn2nc(CNC(=O)N(C)c3ccccc3)cc2C1.
What is the InChIKey of 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea?
The InChIKey is DBIVFZDPQYBTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-4-10-23-11-12-24-18(15-23)13-16(21-24)14-20-19(25)22(2)17-8-6-5-7-9-17/h5-9,13H,3-4,10-12,14-15H2,1-2H3,(H,20,25).
What are the key properties of 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea?
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea has a molecular weight of 341.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea is sourced from PubChem (CID 118778801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).