N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine

C12H18FN5 — CID 122169168

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1CNCc1cnn(CC)c1F
InChIInChI=1S/C12H18FN5/c1-3-17-11(5-6-15-17)9-14-7-10-8-16-18(4-2)12(10)13/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyYPFWRVXVULRAKU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.55
Rot. Bonds6

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 122169168) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
PubChem CID122169168
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1CNCc1cnn(CC)c1F
InChIInChI=1S/C12H18FN5/c1-3-17-11(5-6-15-17)9-14-7-10-8-16-18(4-2)12(10)13/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyYPFWRVXVULRAKU-UHFFFAOYSA-N
XLogP1.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
CID 126963998
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-2-phenylethanamine
CID 122165910
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115762272
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122169186

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine (CID 122169168) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1CNCc1cnn(CC)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is YPFWRVXVULRAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-3-17-11(5-6-15-17)9-14-7-10-8-16-18(4-2)12(10)13/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 251.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122169168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).