1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine

C18H17N3 — CID 79490187

IUPAC1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17N3/c1-19-10-15-11-20-21-18(15)13-6-7-17-14(9-13)8-12-4-2-3-5-16(12)17/h2-7,9,11,19H,8,10H2,1H3,(H,20,21)
InChIKeyPEDVPJDWHOOYCE-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.37
Rot. Bonds3

About 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine

1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 79490187) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID79490187
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17N3/c1-19-10-15-11-20-21-18(15)13-6-7-17-14(9-13)8-12-4-2-3-5-16(12)17/h2-7,9,11,19H,8,10H2,1H3,(H,20,21)
InChIKeyPEDVPJDWHOOYCE-UHFFFAOYSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 79490187) is 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine is CNCc1cn[nH]c1-c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is PEDVPJDWHOOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-19-10-15-11-20-21-18(15)13-6-7-17-14(9-13)8-12-4-2-3-5-16(12)17/h2-7,9,11,19H,8,10H2,1H3,(H,20,21).
What are the key properties of 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 275.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79490187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).