(1-methyl-3-propylpyrazol-5-yl)urea

C8H14N4O — CID 130778456

IUPAC(1-methyl-3-propylpyrazol-5-yl)urea
SMILESCCCc1cc(NC(N)=O)n(C)n1
InChIInChI=1S/C8H14N4O/c1-3-4-6-5-7(10-8(9)13)12(2)11-6/h5H,3-4H2,1-2H3,(H3,9,10,13)
InChIKeyLZGZLSYTGJHJMG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.86
Rot. Bonds3

About (1-methyl-3-propylpyrazol-5-yl)urea

(1-methyl-3-propylpyrazol-5-yl)urea (PubChem CID 130778456) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (1-methyl-3-propylpyrazol-5-yl)urea.

Molecular Properties

Compound Name(1-methyl-3-propylpyrazol-5-yl)urea
PubChem CID130778456
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(1-methyl-3-propylpyrazol-5-yl)urea
SMILESCCCc1cc(NC(N)=O)n(C)n1
InChIInChI=1S/C8H14N4O/c1-3-4-6-5-7(10-8(9)13)12(2)11-6/h5H,3-4H2,1-2H3,(H3,9,10,13)
InChIKeyLZGZLSYTGJHJMG-UHFFFAOYSA-N
XLogP0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
4-[[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]methyl]benzoic acid
CID 122088642
2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
CID 167909633
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985923
1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
CID 115923316
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99587018
1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
CID 115908857
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propylpyrazol-5-yl)urea?
The IUPAC name of (1-methyl-3-propylpyrazol-5-yl)urea (CID 130778456) is (1-methyl-3-propylpyrazol-5-yl)urea.
What is the SMILES notation for (1-methyl-3-propylpyrazol-5-yl)urea?
The canonical SMILES for (1-methyl-3-propylpyrazol-5-yl)urea is CCCc1cc(NC(N)=O)n(C)n1.
What is the InChIKey of (1-methyl-3-propylpyrazol-5-yl)urea?
The InChIKey is LZGZLSYTGJHJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-6-5-7(10-8(9)13)12(2)11-6/h5H,3-4H2,1-2H3,(H3,9,10,13).
What are the key properties of (1-methyl-3-propylpyrazol-5-yl)urea?
(1-methyl-3-propylpyrazol-5-yl)urea has a molecular weight of 182.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propylpyrazol-5-yl)urea is sourced from PubChem (CID 130778456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).