1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea

C20H23N5O — CID 95316390

IUPAC1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](c1cccnc1)N(C)C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-16(17-7-6-12-21-15-17)24(2)20(26)22-13-10-18-11-14-25(23-18)19-8-4-3-5-9-19/h3-9,11-12,14-16H,10,13H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyFBIFLEPVOSMWOO-MRXNPFEDSA-N
MW349.44 g/mol
LogP3.21
Rot. Bonds6

About 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea

1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 95316390) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID95316390
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](c1cccnc1)N(C)C(=O)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O/c1-16(17-7-6-12-21-15-17)24(2)20(26)22-13-10-18-11-14-25(23-18)19-8-4-3-5-9-19/h3-9,11-12,14-16H,10,13H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyFBIFLEPVOSMWOO-MRXNPFEDSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
2-phenyl-2-[2-(1-phenylpyrazol-3-yl)ethylamino]acetamide
CID 51107455
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
1-methyl-3-[3-(pyridin-3-ylamino)propyl]-1-(1-pyridin-4-ylethyl)urea
CID 122569143
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea (CID 95316390) is 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea is C[C@H](c1cccnc1)N(C)C(=O)NCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is FBIFLEPVOSMWOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16(17-7-6-12-21-15-17)24(2)20(26)22-13-10-18-11-14-25(23-18)19-8-4-3-5-9-19/h3-9,11-12,14-16H,10,13H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 349.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95316390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).