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

C11H16FN5 — CID 122166525

IUPACN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccn(CCF)n2)n1
InChIInChI=1S/C11H16FN5/c1-16-5-2-10(14-16)8-13-9-11-3-6-17(15-11)7-4-12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyMIOOYXCDSSXBBO-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.88
Rot. Bonds6

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

N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 122166525) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID122166525
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccn(CCF)n2)n1
InChIInChI=1S/C11H16FN5/c1-16-5-2-10(14-16)8-13-9-11-3-6-17(15-11)7-4-12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyMIOOYXCDSSXBBO-UHFFFAOYSA-N
XLogP0.88
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 122168541
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
1-[1-(2-fluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 126967555
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 122166525) is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(CNCc2ccn(CCF)n2)n1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is MIOOYXCDSSXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-16-5-2-10(14-16)8-13-9-11-3-6-17(15-11)7-4-12/h2-3,5-6,13H,4,7-9H2,1H3.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 237.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122166525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).