N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine

C14H22FN5 — CID 124932393

IUPACN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
SMILESCC[C@@H](C)n1nccc1CNCc1ccn(CCF)n1
InChIInChI=1S/C14H22FN5/c1-3-12(2)20-14(4-7-17-20)11-16-10-13-5-8-19(18-13)9-6-15/h4-5,7-8,12,16H,3,6,9-11H2,1-2H3/t12-/m1/s1
InChIKeyZVVKPIQHTHGMLX-GFCCVEGCSA-N
MW279.36 g/mol
LogP2.31
Rot. Bonds8

About N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine

N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine (PubChem CID 124932393) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
PubChem CID124932393
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC NameN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
SMILESCC[C@@H](C)n1nccc1CNCc1ccn(CCF)n1
InChIInChI=1S/C14H22FN5/c1-3-12(2)20-14(4-7-17-20)11-16-10-13-5-8-19(18-13)9-6-15/h4-5,7-8,12,16H,3,6,9-11H2,1-2H3/t12-/m1/s1
InChIKeyZVVKPIQHTHGMLX-GFCCVEGCSA-N
XLogP2.31
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine with MolForge

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Related Compounds

N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122167059
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine (CID 124932393) is N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine is CC[C@@H](C)n1nccc1CNCc1ccn(CCF)n1.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine?
The InChIKey is ZVVKPIQHTHGMLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FN5/c1-3-12(2)20-14(4-7-17-20)11-16-10-13-5-8-19(18-13)9-6-15/h4-5,7-8,12,16H,3,6,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine?
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine has a molecular weight of 279.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 124932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).