2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide

C26H31N5O2 — CID 143256745

IUPAC2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide
SMILESCCCCc1cc(NC(=O)NC2CCCc3ccccc32)n(-c2cccc(CC(N)=O)c2)n1
InChIInChI=1S/C26H31N5O2/c1-2-3-11-20-17-25(31(30-20)21-12-6-8-18(15-21)16-24(27)32)29-26(33)28-23-14-7-10-19-9-4-5-13-22(19)23/h4-6,8-9,12-13,15,17,23H,2-3,7,10-11,14,16H2,1H3,(H2,27,32)(H2,28,29,33)
InChIKeyNYJIIPSAMRSCBR-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.44
Rot. Bonds8

About 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide

2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide (PubChem CID 143256745) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide
PubChem CID143256745
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide
SMILESCCCCc1cc(NC(=O)NC2CCCc3ccccc32)n(-c2cccc(CC(N)=O)c2)n1
InChIInChI=1S/C26H31N5O2/c1-2-3-11-20-17-25(31(30-20)21-12-6-8-18(15-21)16-24(27)32)29-26(33)28-23-14-7-10-19-9-4-5-13-22(19)23/h4-6,8-9,12-13,15,17,23H,2-3,7,10-11,14,16H2,1H3,(H2,27,32)(H2,28,29,33)
InChIKeyNYJIIPSAMRSCBR-UHFFFAOYSA-N
XLogP4.44
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[3-tert-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetate
CID 77257582
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 11079289
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
1-(4-bromo-3-methyl-1-phenylpyrazol-5-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122657981
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
1-(1,3-benzodioxol-5-yl)-3-[3-butyl-1-(3-cyanophenyl)pyrazol-5-yl]urea
CID 143256519
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide (CID 143256745) is 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide is CCCCc1cc(NC(=O)NC2CCCc3ccccc32)n(-c2cccc(CC(N)=O)c2)n1.
What is the InChIKey of 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is NYJIIPSAMRSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-2-3-11-20-17-25(31(30-20)21-12-6-8-18(15-21)16-24(27)32)29-26(33)28-23-14-7-10-19-9-4-5-13-22(19)23/h4-6,8-9,12-13,15,17,23H,2-3,7,10-11,14,16H2,1H3,(H2,27,32)(H2,28,29,33).
What are the key properties of 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide?
2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-butyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 143256745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).