1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

C19H26N4O — CID 71920840

IUPAC1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NCC2(Cc3ccccc3)CCC2)cn1
InChIInChI=1S/C19H26N4O/c1-23-14-17(13-22-23)8-11-20-18(24)21-15-19(9-5-10-19)12-16-6-3-2-4-7-16/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H2,20,21,24)
InChIKeyUKTLJPDJYIONDL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds7

About 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 71920840) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID71920840
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NCC2(Cc3ccccc3)CCC2)cn1
InChIInChI=1S/C19H26N4O/c1-23-14-17(13-22-23)8-11-20-18(24)21-15-19(9-5-10-19)12-16-6-3-2-4-7-16/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H2,20,21,24)
InChIKeyUKTLJPDJYIONDL-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 78995061
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (CID 71920840) is 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is Cn1cc(CCNC(=O)NCC2(Cc3ccccc3)CCC2)cn1.
What is the InChIKey of 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is UKTLJPDJYIONDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23-14-17(13-22-23)8-11-20-18(24)21-15-19(9-5-10-19)12-16-6-3-2-4-7-16/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71920840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).