[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine

C10H17FN4 — CID 119030854

IUPAC[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1cc(CN2C[C@@H](F)C[C@H]2CN)cn1
InChIInChI=1S/C10H17FN4/c1-14-5-8(4-13-14)6-15-7-9(11)2-10(15)3-12/h4-5,9-10H,2-3,6-7,12H2,1H3/t9-,10-/m0/s1
InChIKeyUTCSLRWTGRCPOO-UWVGGRQHSA-N
MW212.27 g/mol
LogP0.29
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 119030854) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID119030854
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1cc(CN2C[C@@H](F)C[C@H]2CN)cn1
InChIInChI=1S/C10H17FN4/c1-14-5-8(4-13-14)6-15-7-9(11)2-10(15)3-12/h4-5,9-10H,2-3,6-7,12H2,1H3/t9-,10-/m0/s1
InChIKeyUTCSLRWTGRCPOO-UWVGGRQHSA-N
XLogP0.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
CID 62329635
[(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
CID 28063596
3-(4-methyl-1H-pyrazol-1-yl)butan-2-amine
CID 54592650
{[(2S,4S)-4-fluoro-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl}(methyl)amine
CID 119030855
1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine trihydrochloride
CID 165890813
N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 42281902
n-((1-Methyl-1h-pyrazol-4-yl)methyl)heptan-4-amine
CID 61349817
rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-3-pyrrolidinamine dihydrochloride
CID 72891144
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75441559
3-methyl-N-[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]but-2-en-1-amine
CID 95608908

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (CID 119030854) is [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is Cn1cc(CN2C[C@@H](F)C[C@H]2CN)cn1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is UTCSLRWTGRCPOO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17FN4/c1-14-5-8(4-13-14)6-15-7-9(11)2-10(15)3-12/h4-5,9-10H,2-3,6-7,12H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 212.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).