3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea

C9H17N5O — CID 79524208

IUPAC3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C9H17N5O/c1-4-13(2)9(15)11-5-7-6-12-14(3)8(7)10/h6H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyBYSZMVGUMWHNDZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.16
Rot. Bonds3

About 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea

3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea (PubChem CID 79524208) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
PubChem CID79524208
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C9H17N5O/c1-4-13(2)9(15)11-5-7-6-12-14(3)8(7)10/h6H,4-5,10H2,1-3H3,(H,11,15)
InChIKeyBYSZMVGUMWHNDZ-UHFFFAOYSA-N
XLogP0.16
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79524532
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 79524033
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 104928029
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
CID 79524373
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea (CID 79524208) is 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCc1cnn(C)c1N.
What is the InChIKey of 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea?
The InChIKey is BYSZMVGUMWHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-13(2)9(15)11-5-7-6-12-14(3)8(7)10/h6H,4-5,10H2,1-3H3,(H,11,15).
What are the key properties of 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea?
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea has a molecular weight of 211.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 79524208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).