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

C14H22FN5 — CID 122169183

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCn1ncc(CNCc2cc(C(C)C)nn2C)c1F
InChIInChI=1S/C14H22FN5/c1-5-20-14(15)11(8-17-20)7-16-9-12-6-13(10(2)3)18-19(12)4/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyWDQXDDYBGSCGGI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.19
Rot. Bonds6

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

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 122169183) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID122169183
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCn1ncc(CNCc2cc(C(C)C)nn2C)c1F
InChIInChI=1S/C14H22FN5/c1-5-20-14(15)11(8-17-20)7-16-9-12-6-13(10(2)3)18-19(12)4/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyWDQXDDYBGSCGGI-UHFFFAOYSA-N
XLogP2.19
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.19
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-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (CID 122169183) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is CCn1ncc(CNCc2cc(C(C)C)nn2C)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is WDQXDDYBGSCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-5-20-14(15)11(8-17-20)7-16-9-12-6-13(10(2)3)18-19(12)4/h6,8,10,16H,5,7,9H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 279.36 g/mol, XLogP of 2.19, 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-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 122169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).