1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea

C13H25N5O — CID 71973212

IUPAC1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H25N5O/c1-11(2)9-18(7-6-16(3)4)13(19)15-12-8-14-17(5)10-12/h8,10-11H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyULWSRRAHTJGGPR-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.47
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea

1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 71973212) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID71973212
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H25N5O/c1-11(2)9-18(7-6-16(3)4)13(19)15-12-8-14-17(5)10-12/h8,10-11H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyULWSRRAHTJGGPR-UHFFFAOYSA-N
XLogP1.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
1-(1-Ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
CID 47200192
1-Ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 51093544
1-[2-(4-Ethylpiperazin-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502914
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 53502932
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]azepane-1-carboxamide
CID 53503753
2-[4-[(1-Ethylpyrrolidin-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53504545
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-[2-(Dimethylamino)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53504812
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-propan-2-ylpiperazine-1-carboxamide
CID 53505760
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea (CID 71973212) is 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea is CC(C)CN(CCN(C)C)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is ULWSRRAHTJGGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(2)9-18(7-6-16(3)4)13(19)15-12-8-14-17(5)10-12/h8,10-11H,6-7,9H2,1-5H3,(H,15,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea?
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 267.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 71973212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).