2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide

C17H21N5O2 — CID 97346708

IUPAC2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)cc1
InChIInChI=1S/C17H21N5O2/c1-11-5-7-13(8-6-11)19-17(24)20-14-4-2-3-12-9-22(10-15(18)23)21-16(12)14/h5-9,14H,2-4,10H2,1H3,(H2,18,23)(H2,19,20,24)/t14-/m0/s1
InChIKeyRTSJSJXEOGFHCP-AWEZNQCLSA-N
MW327.39 g/mol
LogP1.88
Rot. Bonds4

About 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide

2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide (PubChem CID 97346708) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
PubChem CID97346708
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)cc1
InChIInChI=1S/C17H21N5O2/c1-11-5-7-13(8-6-11)19-17(24)20-14-4-2-3-12-9-22(10-15(18)23)21-16(12)14/h5-9,14H,2-4,10H2,1H3,(H2,18,23)(H2,19,20,24)/t14-/m0/s1
InChIKeyRTSJSJXEOGFHCP-AWEZNQCLSA-N
XLogP1.88
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475543
N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475527
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-2-cyclohexylacetamide
CID 97346909
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide
CID 97346911
N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
CID 97346880
1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
CID 166205955
ethyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate
CID 97299942
2-[(7R)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346729
2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346730
1-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)urea
CID 154787652
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The IUPAC name of 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide (CID 97346708) is 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide.
What is the SMILES notation for 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The canonical SMILES for 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide is Cc1ccc(NC(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)cc1.
What is the InChIKey of 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The InChIKey is RTSJSJXEOGFHCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-5-7-13(8-6-11)19-17(24)20-14-4-2-3-12-9-22(10-15(18)23)21-16(12)14/h5-9,14H,2-4,10H2,1H3,(H2,18,23)(H2,19,20,24)/t14-/m0/s1.
What are the key properties of 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide is sourced from PubChem (CID 97346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).