1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea

C12H20N4O — CID 87007413

IUPAC1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O/c1-9(10-4-5-10)15(2)12(17)13-8-11-6-7-14-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyDCRAUELCYBGOPW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.36
Rot. Bonds4

About 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea

1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 87007413) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID87007413
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O/c1-9(10-4-5-10)15(2)12(17)13-8-11-6-7-14-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyDCRAUELCYBGOPW-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 55205366
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 63303421
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
1-(2,2-dicyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111691019
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea
CID 110896414

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 87007413) is 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea is CC(C1CC1)N(C)C(=O)NCc1ccnn1C.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is DCRAUELCYBGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(10-4-5-10)15(2)12(17)13-8-11-6-7-14-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 87007413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).