N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

C14H16FN3 — CID 79485179

IUPACN-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-c1[nH]ncc1CNC1CC1
InChIInChI=1S/C14H16FN3/c1-9-6-11(15)2-5-13(9)14-10(8-17-18-14)7-16-12-3-4-12/h2,5-6,8,12,16H,3-4,7H2,1H3,(H,17,18)
InChIKeyATSXRNLFWRRTCO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.78
Rot. Bonds4

About N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79485179) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79485179
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-c1[nH]ncc1CNC1CC1
InChIInChI=1S/C14H16FN3/c1-9-6-11(15)2-5-13(9)14-10(8-17-18-14)7-16-12-3-4-12/h2,5-6,8,12,16H,3-4,7H2,1H3,(H,17,18)
InChIKeyATSXRNLFWRRTCO-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (CID 79485179) is N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is Cc1cc(F)ccc1-c1[nH]ncc1CNC1CC1.
What is the InChIKey of N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ATSXRNLFWRRTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-6-11(15)2-5-13(9)14-10(8-17-18-14)7-16-12-3-4-12/h2,5-6,8,12,16H,3-4,7H2,1H3,(H,17,18).
What are the key properties of N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79485179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).