N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine

C18H17N3 — CID 61004066

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine
SMILESCc1[nH]ncc1CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17N3/c1-12-13(11-20-21-12)10-19-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,11,18-19H,10H2,1H3,(H,20,21)
InChIKeyPZYNAJBLGMPTCR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.58
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine (PubChem CID 61004066) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine
PubChem CID61004066
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine
SMILESCc1[nH]ncc1CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17N3/c1-12-13(11-20-21-12)10-19-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,11,18-19H,10H2,1H3,(H,20,21)
InChIKeyPZYNAJBLGMPTCR-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine (CID 61004066) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine is Cc1[nH]ncc1CNC1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine?
The InChIKey is PZYNAJBLGMPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-13(11-20-21-12)10-19-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,11,18-19H,10H2,1H3,(H,20,21).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine has a molecular weight of 275.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-fluoren-9-amine is sourced from PubChem (CID 61004066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).