1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea

C9H16N4O — CID 115621073

IUPAC1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
SMILESCCCc1cc(NC(=O)N(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-4-5-7-6-8(12-11-7)10-9(14)13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyYKFLICAVBLYWME-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.46
Rot. Bonds3

About 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea

1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea (PubChem CID 115621073) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
PubChem CID115621073
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
SMILESCCCc1cc(NC(=O)N(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-4-5-7-6-8(12-11-7)10-9(14)13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyYKFLICAVBLYWME-UHFFFAOYSA-N
XLogP1.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea (CID 115621073) is 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea is CCCc1cc(NC(=O)N(C)C)n[nH]1.
What is the InChIKey of 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea?
The InChIKey is YKFLICAVBLYWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-7-6-8(12-11-7)10-9(14)13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea?
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea has a molecular weight of 196.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 115621073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).