1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea

C18H20N4O2 — CID 94166163

IUPAC1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1
InChIInChI=1S/C18H20N4O2/c1-14(17-8-5-9-24-17)21-18(23)19-10-16-11-20-22(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14H,10,12H2,1H3,(H2,19,21,23)/t14-/m0/s1
InChIKeyFLABGLMLQDFVNX-AWEZNQCLSA-N
MW324.38 g/mol
LogP3.08
Rot. Bonds6

About 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea

1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea (PubChem CID 94166163) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
PubChem CID94166163
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1
InChIInChI=1S/C18H20N4O2/c1-14(17-8-5-9-24-17)21-18(23)19-10-16-11-20-22(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14H,10,12H2,1H3,(H2,19,21,23)/t14-/m0/s1
InChIKeyFLABGLMLQDFVNX-AWEZNQCLSA-N
XLogP3.08
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81391965
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86996629
3-[[1-(furan-2-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 61199837
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71967479
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008289
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111127321
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea (CID 94166163) is 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea is C[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The InChIKey is FLABGLMLQDFVNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14(17-8-5-9-24-17)21-18(23)19-10-16-11-20-22(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14H,10,12H2,1H3,(H2,19,21,23)/t14-/m0/s1.
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 94166163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).