9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate

C23H25N3O4 — CID 171887680

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate
SMILESCn1nccc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-26-20(10-13-25-26)22(28)21(27)11-12-24-23(29)30-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,13,19,21-22,27-28H,11-12,14H2,1H3,(H,24,29)
InChIKeyQHJQYEQSRZXXAB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.74
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate (PubChem CID 171887680) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate
PubChem CID171887680
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate
SMILESCn1nccc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-26-20(10-13-25-26)22(28)21(27)11-12-24-23(29)30-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,13,19,21-22,27-28H,11-12,14H2,1H3,(H,24,29)
InChIKeyQHJQYEQSRZXXAB-UHFFFAOYSA-N
XLogP2.74
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1,3,5-trimethylpyrazol-4-yl)butyl]carbamate
CID 171886290
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate
CID 171886794
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1-methylimidazole-2-carboxylate
CID 171887012
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886140
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-fluorobenzoic acid
CID 171886901
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
3-chloro-2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzoic acid
CID 171886895
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-(trifluoromethyl)-2-pyridinyl]butyl]carbamate
CID 171887038

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate (CID 171887680) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate is Cn1nccc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate?
The InChIKey is QHJQYEQSRZXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-26-20(10-13-25-26)22(28)21(27)11-12-24-23(29)30-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,13,19,21-22,27-28H,11-12,14H2,1H3,(H,24,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate is sourced from PubChem (CID 171887680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).