N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine

C8H12FN3 — CID 130614621

IUPACN-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2(F)CC2)cn1
InChIInChI=1S/C8H12FN3/c1-12-5-7(4-11-12)10-6-8(9)2-3-8/h4-5,10H,2-3,6H2,1H3
InChIKeyWURNOWTYMFUDQS-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.33
Rot. Bonds3

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

N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 130614621) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
PubChem CID130614621
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCC2(F)CC2)cn1
InChIInChI=1S/C8H12FN3/c1-12-5-7(4-11-12)10-6-8(9)2-3-8/h4-5,10H,2-3,6H2,1H3
InChIKeyWURNOWTYMFUDQS-UHFFFAOYSA-N
XLogP1.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methylcyclopentyl)methyl]pyrazol-4-amine
CID 130578038
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylpyrazol-4-amine
CID 103568795
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 79771007
N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568920
1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine
CID 106723988
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
CID 43534709
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568739

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine (CID 130614621) is N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCC2(F)CC2)cn1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is WURNOWTYMFUDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-12-5-7(4-11-12)10-6-8(9)2-3-8/h4-5,10H,2-3,6H2,1H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine?
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 169.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 130614621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).