3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid

C20H17N3O4 — CID 154575245

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C20H17N3O4/c1-23-17(19(24)25)10-18(22-23)21-20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,11H2,1H3,(H,24,25)(H,21,22,26)
InChIKeyHWMFRKCDLRXBBE-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.48
Rot. Bonds4

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid (PubChem CID 154575245) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid
PubChem CID154575245
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C20H17N3O4/c1-23-17(19(24)25)10-18(22-23)21-20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,11H2,1H3,(H,24,25)(H,21,22,26)
InChIKeyHWMFRKCDLRXBBE-UHFFFAOYSA-N
XLogP3.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-{[(benzyloxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylate
CID 14266058
3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 132351145
4-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 154734073
3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-5-yl]formamido}-2,2-difluoropropanoic acid
CID 165518040
2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-5-yl]formamido}-4,4-difluorobutanoic acid
CID 165530924
3-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-3-yl]formamido}-2,2-difluoropropanoic acid
CID 165530928
3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-5-yl]formamido}-4,4-difluorobutanoic acid
CID 165532426
2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazol-5-yl]formamido}-4,4-difluorobutanoic acid
CID 165559765
2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazol-5-yl]formamido}-3,3,3-trifluoropropanoic acid
CID 165561910
2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazol-5-yl]formamido}-4,4,4-trifluorobutanoic acid
CID 165567817
2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazol-5-yl]formamido}-3,3,3-trifluoro-2-methylpropanoic acid
CID 165567818
3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-difluoropropanamido]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 165570874

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid (CID 154575245) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid is Cn1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is HWMFRKCDLRXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-23-17(19(24)25)10-18(22-23)21-20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,11H2,1H3,(H,24,25)(H,21,22,26).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid?
3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 154575245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).