N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide

C20H21N5O2 — CID 55962959

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13-11-22-25(12-13)18-9-5-16(6-10-18)19(26)23-14(2)15-3-7-17(8-4-15)24-20(21)27/h3-12,14H,1-2H3,(H,23,26)(H3,21,24,27)
InChIKeyXYXRNHLIQNHVNU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds5

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 55962959) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID55962959
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)cc2)c1
InChIInChI=1S/C20H21N5O2/c1-13-11-22-25(12-13)18-9-5-16(6-10-18)19(26)23-14(2)15-3-7-17(8-4-15)24-20(21)27/h3-12,14H,1-2H3,(H,23,26)(H3,21,24,27)
InChIKeyXYXRNHLIQNHVNU-UHFFFAOYSA-N
XLogP3.16
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 97324118
[4-(4-methylpyrazol-1-yl)phenyl]thiourea
CID 169358177
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-(4-nitrophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55840739
4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide (CID 55962959) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)cc2)c1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is XYXRNHLIQNHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-11-22-25(12-13)18-9-5-16(6-10-18)19(26)23-14(2)15-3-7-17(8-4-15)24-20(21)27/h3-12,14H,1-2H3,(H,23,26)(H3,21,24,27).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).