N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride

C14H23ClFN5 — CID 126963941

IUPACN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCn1cc(CNCc2c(C)nn(CC)c2F)c(C)n1.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-5-19-9-12(10(3)17-19)7-16-8-13-11(4)18-20(6-2)14(13)15;/h9,16H,5-8H2,1-4H3;1H
InChIKeyWKGLZZJIENCFCY-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.59
Rot. Bonds6

About N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride

N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride (PubChem CID 126963941) has the molecular formula C14H23ClFN5 and a molecular weight of 315.82 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
PubChem CID126963941
Molecular FormulaC14H23ClFN5
Molecular Weight315.82 g/mol
Exact Mass315.16
IUPAC NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCn1cc(CNCc2c(C)nn(CC)c2F)c(C)n1.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-5-19-9-12(10(3)17-19)7-16-8-13-11(4)18-20(6-2)14(13)15;/h9,16H,5-8H2,1-4H3;1H
InChIKeyWKGLZZJIENCFCY-UHFFFAOYSA-N
XLogP2.59
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride (CID 126963941) is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride is CCn1cc(CNCc2c(C)nn(CC)c2F)c(C)n1.Cl.
What is the InChIKey of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride?
The InChIKey is WKGLZZJIENCFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5.ClH/c1-5-19-9-12(10(3)17-19)7-16-8-13-11(4)18-20(6-2)14(13)15;/h9,16H,5-8H2,1-4H3;1H.
What are the key properties of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride?
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 2.59, 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-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 126963941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).