1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea

C10H18N4O — CID 104693386

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)11-6-4-9-5-7-12-14(9)3/h5,7-8H,4,6H2,1-3H3,(H2,11,13,15)
InChIKeyBBBQAMBWDZQEAI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea (PubChem CID 104693386) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
PubChem CID104693386
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)11-6-4-9-5-7-12-14(9)3/h5,7-8H,4,6H2,1-3H3,(H2,11,13,15)
InChIKeyBBBQAMBWDZQEAI-UHFFFAOYSA-N
XLogP0.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009670
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea (CID 104693386) is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1ccnn1C.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is BBBQAMBWDZQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)13-10(15)11-6-4-9-5-7-12-14(9)3/h5,7-8H,4,6H2,1-3H3,(H2,11,13,15).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 210.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 104693386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).