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

C14H23ClFN5 — CID 126967612

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cnn(CC)c2F)c(C)n1.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-4-6-19-10-13(11(3)18-19)8-16-7-12-9-17-20(5-2)14(12)15;/h9-10,16H,4-8H2,1-3H3;1H
InChIKeyYATKURUJWBCULK-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.67
Rot. Bonds7

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

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride (PubChem CID 126967612) has the molecular formula C14H23ClFN5 and a molecular weight of 315.82 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
PubChem CID126967612
Molecular FormulaC14H23ClFN5
Molecular Weight315.82 g/mol
Exact Mass315.16
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cnn(CC)c2F)c(C)n1.Cl
InChIInChI=1S/C14H22FN5.ClH/c1-4-6-19-10-13(11(3)18-19)8-16-7-12-9-17-20(5-2)14(12)15;/h9-10,16H,4-8H2,1-3H3;1H
InChIKeyYATKURUJWBCULK-UHFFFAOYSA-N
XLogP2.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.67
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-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride (CID 126967612) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride is CCCn1cc(CNCc2cnn(CC)c2F)c(C)n1.Cl.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The InChIKey is YATKURUJWBCULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5.ClH/c1-4-6-19-10-13(11(3)18-19)8-16-7-12-9-17-20(5-2)14(12)15;/h9-10,16H,4-8H2,1-3H3;1H.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 2.67, 7 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-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 126967612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).