1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine

C10H16F2N4 — CID 120909215

IUPAC1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccn(C(F)F)n2)CC1N
InChIInChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3
InChIKeyXAVCSNZQSCTJGM-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.06
Rot. Bonds3

About 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909215) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909215
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccn(C(F)F)n2)CC1N
InChIInChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3
InChIKeyXAVCSNZQSCTJGM-UHFFFAOYSA-N
XLogP1.06
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
CID 120906075
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909003
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783458
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79868446
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 103576707
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
CID 120909021
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (CID 120909215) is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccn(C(F)F)n2)CC1N.
What is the InChIKey of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is XAVCSNZQSCTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 230.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).