1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C7H12N4O — CID 60703151

IUPAC1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(N)=O
InChIInChI=1S/C7H12N4O/c1-10(7(8)12)4-6-3-9-11(2)5-6/h3,5H,4H2,1-2H3,(H2,8,12)
InChIKeyYCYPZYMLVYYUIQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds2

About 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 60703151) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID60703151
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(N)=O
InChIInChI=1S/C7H12N4O/c1-10(7(8)12)4-6-3-9-11(2)5-6/h3,5H,4H2,1-2H3,(H2,8,12)
InChIKeyYCYPZYMLVYYUIQ-UHFFFAOYSA-N
XLogP-0.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 60703151) is 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CN(Cc1cnn(C)c1)C(N)=O.
What is the InChIKey of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is YCYPZYMLVYYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10(7(8)12)4-6-3-9-11(2)5-6/h3,5H,4H2,1-2H3,(H2,8,12).
What are the key properties of 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 168.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 60703151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).