N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine

C17H19FN6 — CID 166274914

IUPACN-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
SMILESFc1ccc(Cn2cc(CNC3CCc4n[nH]nc4C3)cn2)cc1
InChIInChI=1S/C17H19FN6/c18-14-3-1-12(2-4-14)10-24-11-13(9-20-24)8-19-15-5-6-16-17(7-15)22-23-21-16/h1-4,9,11,15,19H,5-8,10H2,(H,21,22,23)
InChIKeyUWEVGPAEYBFBQN-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.84
Rot. Bonds5

About N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine

N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine (PubChem CID 166274914) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
PubChem CID166274914
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
SMILESFc1ccc(Cn2cc(CNC3CCc4n[nH]nc4C3)cn2)cc1
InChIInChI=1S/C17H19FN6/c18-14-3-1-12(2-4-14)10-24-11-13(9-20-24)8-19-15-5-6-16-17(7-15)22-23-21-16/h1-4,9,11,15,19H,5-8,10H2,(H,21,22,23)
InChIKeyUWEVGPAEYBFBQN-UHFFFAOYSA-N
XLogP1.84
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine with MolForge

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Related Compounds

trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 100632539
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 166230397
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183548
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
4-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961800
2-(4-benzylpiperazin-1-yl)-N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 167753806
1-cyclopropyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19677201
N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772923
(2R,6S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2,6-dimethylpiperazine
CID 120844729
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120837476

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine (CID 166274914) is N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine is Fc1ccc(Cn2cc(CNC3CCc4n[nH]nc4C3)cn2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
The InChIKey is UWEVGPAEYBFBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-14-3-1-12(2-4-14)10-24-11-13(9-20-24)8-19-15-5-6-16-17(7-15)22-23-21-16/h1-4,9,11,15,19H,5-8,10H2,(H,21,22,23).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine?
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine has a molecular weight of 326.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine is sourced from PubChem (CID 166274914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).