N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide

C22H25N5O2 — CID 55962372

IUPACN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C22H25N5O2/c1-3-7-19-14-20(27-26-19)21(28)23-15(2)16-10-12-18(13-11-16)25-22(29)24-17-8-5-4-6-9-17/h4-6,8-15H,3,7H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29)
InChIKeyZWSMCWAXFBDKNO-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.50
Rot. Bonds7

About N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55962372) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55962372
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C22H25N5O2/c1-3-7-19-14-20(27-26-19)21(28)23-15(2)16-10-12-18(13-11-16)25-22(29)24-17-8-5-4-6-9-17/h4-6,8-15H,3,7H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29)
InChIKeyZWSMCWAXFBDKNO-UHFFFAOYSA-N
XLogP4.50
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 48824198
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 60513560
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55546952
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 55962372) is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZWSMCWAXFBDKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-7-19-14-20(27-26-19)21(28)23-15(2)16-10-12-18(13-11-16)25-22(29)24-17-8-5-4-6-9-17/h4-6,8-15H,3,7H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29).
What are the key properties of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55962372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).