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

C14H22FN5 — CID 122169186

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCCn1ncc(CNCc2ccn(CC(C)C)n2)c1F
InChIInChI=1S/C14H22FN5/c1-4-20-14(15)12(8-17-20)7-16-9-13-5-6-19(18-13)10-11(2)3/h5-6,8,11,16H,4,7,9-10H2,1-3H3
InChIKeyXXZOEHNRNAILFC-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.18
Rot. Bonds7

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

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (PubChem CID 122169186) 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-(2-methylpropyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
PubChem CID122169186
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCCn1ncc(CNCc2ccn(CC(C)C)n2)c1F
InChIInChI=1S/C14H22FN5/c1-4-20-14(15)12(8-17-20)7-16-9-13-5-6-19(18-13)10-11(2)3/h5-6,8,11,16H,4,7,9-10H2,1-3H3
InChIKeyXXZOEHNRNAILFC-UHFFFAOYSA-N
XLogP2.18
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122169190
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122167168
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122169227
2-[[[1-(2-methylpropyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126965242
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (CID 122169186) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is CCn1ncc(CNCc2ccn(CC(C)C)n2)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The InChIKey is XXZOEHNRNAILFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-4-20-14(15)12(8-17-20)7-16-9-13-5-6-19(18-13)10-11(2)3/h5-6,8,11,16H,4,7,9-10H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine has a molecular weight of 279.36 g/mol, XLogP of 2.18, 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-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 122169186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).