N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine

C9H14FN3 — CID 130610447

IUPACN-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCC2(F)CC2)n(C)n1
InChIInChI=1S/C9H14FN3/c1-7-5-8(13(2)12-7)11-6-9(10)3-4-9/h5,11H,3-4,6H2,1-2H3
InChIKeyOORQFVKGHQVJHF-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.64
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine

N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 130610447) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
PubChem CID130610447
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCC2(F)CC2)n(C)n1
InChIInChI=1S/C9H14FN3/c1-7-5-8(13(2)12-7)11-6-9(10)3-4-9/h5,11H,3-4,6H2,1-2H3
InChIKeyOORQFVKGHQVJHF-UHFFFAOYSA-N
XLogP1.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103569108
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
CID 130614621
2,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 131047869
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine (CID 130610447) is N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(NCC2(F)CC2)n(C)n1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is OORQFVKGHQVJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7-5-8(13(2)12-7)11-6-9(10)3-4-9/h5,11H,3-4,6H2,1-2H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine?
N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 183.23 g/mol, XLogP of 1.64, 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]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 130610447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).