N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C22H23N5O — CID 78880294

IUPACN-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccc3ccccc3c2)[nH]n1
InChIInChI=1S/C22H23N5O/c1-14-21(15(2)27(3)26-14)19-13-20(25-24-19)22(28)23-11-10-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyGPVKQPMHAATABA-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.55
Rot. Bonds5

About N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880294) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880294
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccc3ccccc3c2)[nH]n1
InChIInChI=1S/C22H23N5O/c1-14-21(15(2)27(3)26-14)19-13-20(25-24-19)22(28)23-11-10-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyGPVKQPMHAATABA-UHFFFAOYSA-N
XLogP3.55
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880476
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879375
N-[2-(4-methoxyphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881598
N-[3-(2-methoxyphenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16673124
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879466
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879203
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881294
propan-2-yl 3-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 78881579
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881896
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880294) is N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccc3ccccc3c2)[nH]n1.
What is the InChIKey of N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is GPVKQPMHAATABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-21(15(2)27(3)26-14)19-13-20(25-24-19)22(28)23-11-10-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12-13H,10-11H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).