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

C13H20N4O — CID 36977921

IUPAC1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N4O/c1-17-11(6-7-15-17)8-14-13(18)16-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,14,16,18)
InChIKeyHZBYVUZDDYCQGO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds5

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

1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 36977921) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID36977921
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N4O/c1-17-11(6-7-15-17)8-14-13(18)16-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,14,16,18)
InChIKeyHZBYVUZDDYCQGO-UHFFFAOYSA-N
XLogP1.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 36977921) is 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is HZBYVUZDDYCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-11(6-7-15-17)8-14-13(18)16-12(9-2-3-9)10-4-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,14,16,18).
What are the key properties of 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 248.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 36977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).