[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid

C11H18FN5O2 — CID 89456751

IUPAC[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid
SMILESCn1ncc(N)c1N1CCC(F)C(NC(=O)O)CC1
InChIInChI=1S/C11H18FN5O2/c1-16-10(8(13)6-14-16)17-4-2-7(12)9(3-5-17)15-11(18)19/h6-7,9,15H,2-5,13H2,1H3,(H,18,19)
InChIKeyAZHFMFRNUVXPIY-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.58
Rot. Bonds2

About [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid

[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid (PubChem CID 89456751) has the molecular formula C11H18FN5O2 and a molecular weight of 271.30 g/mol. Its IUPAC name is [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid
PubChem CID89456751
Molecular FormulaC11H18FN5O2
Molecular Weight271.30 g/mol
Exact Mass271.14
IUPAC Name[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid
SMILESCn1ncc(N)c1N1CCC(F)C(NC(=O)O)CC1
InChIInChI=1S/C11H18FN5O2/c1-16-10(8(13)6-14-16)17-4-2-7(12)9(3-5-17)15-11(18)19/h6-7,9,15H,2-5,13H2,1H3,(H,18,19)
InChIKeyAZHFMFRNUVXPIY-UHFFFAOYSA-N
XLogP0.58
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid?
The IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid (CID 89456751) is [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid?
The canonical SMILES for [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid is Cn1ncc(N)c1N1CCC(F)C(NC(=O)O)CC1.
What is the InChIKey of [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid?
The InChIKey is AZHFMFRNUVXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O2/c1-16-10(8(13)6-14-16)17-4-2-7(12)9(3-5-17)15-11(18)19/h6-7,9,15H,2-5,13H2,1H3,(H,18,19).
What are the key properties of [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid?
[1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid has a molecular weight of 271.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamic acid is sourced from PubChem (CID 89456751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).