1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea

C7H12N4O — CID 20784611

IUPAC1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]ncc1NC(=O)N(C)C
InChIInChI=1S/C7H12N4O/c1-5-6(4-8-10-5)9-7(12)11(2)3/h4H,1-3H3,(H,8,10)(H,9,12)
InChIKeyQZMZPRFYDSYCKY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.81
Rot. Bonds1

About 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea

1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea (PubChem CID 20784611) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
PubChem CID20784611
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]ncc1NC(=O)N(C)C
InChIInChI=1S/C7H12N4O/c1-5-6(4-8-10-5)9-7(12)11(2)3/h4H,1-3H3,(H,8,10)(H,9,12)
InChIKeyQZMZPRFYDSYCKY-UHFFFAOYSA-N
XLogP0.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
2-methyl-2-(methylamino)-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 83618057
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
CID 83618200
2,4-dimethyl-N-(5-methyl-1H-pyrazol-4-yl)furan-3-carboxamide
CID 112521669
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225300
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
CID 130605359

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea (CID 20784611) is 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea is Cc1[nH]ncc1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea?
The InChIKey is QZMZPRFYDSYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-6(4-8-10-5)9-7(12)11(2)3/h4H,1-3H3,(H,8,10)(H,9,12).
What are the key properties of 1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea?
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea has a molecular weight of 168.20 g/mol, XLogP of 0.81, 1 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-methyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 20784611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).