N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine

C14H16FN3 — CID 43776718

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccc(F)cc2)C2CC2)cn1
InChIInChI=1S/C14H16FN3/c1-18-9-13(8-16-18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-10,14,17H,2-3H2,1H3
InChIKeyLEDZYFXYJNLQDW-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.12
Rot. Bonds4

About N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43776718) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
PubChem CID43776718
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccc(F)cc2)C2CC2)cn1
InChIInChI=1S/C14H16FN3/c1-18-9-13(8-16-18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-10,14,17H,2-3H2,1H3
InChIKeyLEDZYFXYJNLQDW-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80682342
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
CID 82538513
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
CID 64794069
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803874
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine (CID 43776718) is N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NC(c2ccc(F)cc2)C2CC2)cn1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is LEDZYFXYJNLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18-9-13(8-16-18)17-14(10-2-3-10)11-4-6-12(15)7-5-11/h4-10,14,17H,2-3H2,1H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43776718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).