1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine

C8H11F2N3 — CID 167249911

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C8H11F2N3/c1-11-8(3-4-8)6-2-5-13(12-6)7(9)10/h2,5,7,11H,3-4H2,1H3
InChIKeyDSPICJNDCQDYIN-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine

1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine (PubChem CID 167249911) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine
PubChem CID167249911
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C8H11F2N3/c1-11-8(3-4-8)6-2-5-13(12-6)7(9)10/h2,5,7,11H,3-4H2,1H3
InChIKeyDSPICJNDCQDYIN-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 129841629
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine (CID 167249911) is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine is CNC1(c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine?
The InChIKey is DSPICJNDCQDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-11-8(3-4-8)6-2-5-13(12-6)7(9)10/h2,5,7,11H,3-4H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine?
1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine has a molecular weight of 187.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 167249911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).